3-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;4-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;3-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide

C75H100Cl2F3N9O9S3 — CID 161362550

IUPAC3-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;4-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;3-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
SMILESCC(C)Oc1ccccc1N1CCN(C2CCC(NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1.CC(C)Oc1ccccc1N1CCN(C2CCC(NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1.CC(C)Oc1ccccc1N1CCN(C2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)CC1
InChIInChI=1S/2C25H33ClFN3O3S.C25H34FN3O3S/c1-18(2)33-23-8-4-3-7-22(23)30-16-14-29(15-17-30)20-12-10-19(11-13-20)28-34(31,32)24-9-5-6-21(26)25(24)27;1-18(2)33-24-6-4-3-5-23(24)30-15-13-29(14-16-30)21-10-8-20(9-11-21)28-34(31,32)25-12-7-19(26)17-22(25)27;1-19(2)32-25-9-4-3-8-24(25)29-16-14-28(15-17-29)22-12-10-21(11-13-22)27-33(30,31)23-7-5-6-20(26)18-23/h3-9,18-20,28H,10-17H2,1-2H3;3-7,12,17-18,20-21,28H,8-11,13-16H2,1-2H3;3-9,18-19,21-22,27H,10-17H2,1-2H3
InChIKeyVPJJYJLAJYWFNP-UHFFFAOYSA-N
MW1495.78 g/mol
LogP13.38
Rot. Bonds21

About 3-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;4-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;3-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide

3-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;4-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;3-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide (PubChem CID 161362550) has the molecular formula C75H100Cl2F3N9O9S3 and a molecular weight of 1495.78 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;4-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;3-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;4-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;3-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
PubChem CID161362550
Molecular FormulaC75H100Cl2F3N9O9S3
Molecular Weight1495.78 g/mol
Exact Mass1493.61
IUPAC Name3-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;4-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;3-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
SMILESCC(C)Oc1ccccc1N1CCN(C2CCC(NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1.CC(C)Oc1ccccc1N1CCN(C2CCC(NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1.CC(C)Oc1ccccc1N1CCN(C2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)CC1
InChIInChI=1S/2C25H33ClFN3O3S.C25H34FN3O3S/c1-18(2)33-23-8-4-3-7-22(23)30-16-14-29(15-17-30)20-12-10-19(11-13-20)28-34(31,32)24-9-5-6-21(26)25(24)27;1-18(2)33-24-6-4-3-5-23(24)30-15-13-29(14-16-30)21-10-8-20(9-11-21)28-34(31,32)25-12-7-19(26)17-22(25)27;1-19(2)32-25-9-4-3-8-24(25)29-16-14-28(15-17-29)22-12-10-21(11-13-22)27-33(30,31)23-7-5-6-20(26)18-23/h3-9,18-20,28H,10-17H2,1-2H3;3-7,12,17-18,20-21,28H,8-11,13-16H2,1-2H3;3-9,18-19,21-22,27H,10-17H2,1-2H3
InChIKeyVPJJYJLAJYWFNP-UHFFFAOYSA-N
XLogP13.38
TPSA185.64 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001495.78
LogP ≤ 513.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 3-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;4-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;3-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[dimethyl(pyridin-3-yl)-λ4-sulfanyl]-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 143225676
4-fluoro-2-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]isoindole-1,3-dione
CID 11984570
1-(3-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea
CID 71017736
5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane
CID 143302191
5-chloro-2-fluoro-N-[(3S)-1-[2-(2-propan-2-yloxyphenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
CID 134138730
N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide
CID 67392962
1-(5-chloro-2-methoxyphenyl)-3-methylurea;1-cyclohexyl-4-(2-propan-2-yloxyphenyl)piperazine
CID 143389069
N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 110752098
N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide
CID 55922553
N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide
CID 113271378
N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide
CID 18141486
2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide
CID 32681639

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;4-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;3-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;4-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;3-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide (CID 161362550) is 3-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;4-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;3-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;4-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;3-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;4-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;3-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide is CC(C)Oc1ccccc1N1CCN(C2CCC(NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1.CC(C)Oc1ccccc1N1CCN(C2CCC(NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1.CC(C)Oc1ccccc1N1CCN(C2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)CC1.
What is the InChIKey of 3-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;4-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;3-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The InChIKey is VPJJYJLAJYWFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H33ClFN3O3S.C25H34FN3O3S/c1-18(2)33-23-8-4-3-7-22(23)30-16-14-29(15-17-30)20-12-10-19(11-13-20)28-34(31,32)24-9-5-6-21(26)25(24)27;1-18(2)33-24-6-4-3-5-23(24)30-15-13-29(14-16-30)21-10-8-20(9-11-21)28-34(31,32)25-12-7-19(26)17-22(25)27;1-19(2)32-25-9-4-3-8-24(25)29-16-14-28(15-17-29)22-12-10-21(11-13-22)27-33(30,31)23-7-5-6-20(26)18-23/h3-9,18-20,28H,10-17H2,1-2H3;3-7,12,17-18,20-21,28H,8-11,13-16H2,1-2H3;3-9,18-19,21-22,27H,10-17H2,1-2H3.
What are the key properties of 3-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;4-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;3-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
3-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;4-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;3-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide has a molecular weight of 1495.78 g/mol, XLogP of 13.38, 21 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;4-chloro-2-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide;3-fluoro-N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 161362550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).