N-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide

C23H30ClN3O3S2 — CID 15989589

IUPACN-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C23H30ClN3O3S2/c1-17-4-9-20(24)15-21(17)26-10-12-27(13-11-26)23(28)19-7-5-18(6-8-19)16-25-32(29,30)22-3-2-14-31-22/h2-4,9,14-15,18-19,25H,5-8,10-13,16H2,1H3
InChIKeyNYFHIGBZGXQCDS-UHFFFAOYSA-N
MW496.10 g/mol
LogP4.14
Rot. Bonds6

About N-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide

N-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide (PubChem CID 15989589) has the molecular formula C23H30ClN3O3S2 and a molecular weight of 496.10 g/mol. Its IUPAC name is N-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide
PubChem CID15989589
Molecular FormulaC23H30ClN3O3S2
Molecular Weight496.10 g/mol
Exact Mass495.14
IUPAC NameN-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C23H30ClN3O3S2/c1-17-4-9-20(24)15-21(17)26-10-12-27(13-11-26)23(28)19-7-5-18(6-8-19)16-25-32(29,30)22-3-2-14-31-22/h2-4,9,14-15,18-19,25H,5-8,10-13,16H2,1H3
InChIKeyNYFHIGBZGXQCDS-UHFFFAOYSA-N
XLogP4.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.10
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}thiophene-2-sulfonamide
CID 3237909
N-[[4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-2-thiophenesulfonamide
CID 3640175
N-(5-chloro-2-methylphenyl)-2-phenyl-2-[(thien-2-ylsulfonyl)amino]acetamide
CID 15945109
N-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide
CID 15999174
3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[(2-thiophen-2-yl-ethylamino)-methyl]-phenyl}-piperazin-1-yl)-ethyl]-propionamide
CID 9915636
5-chloro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
CID 10128788
(R)-2-Amino-3-(4-chloro-phenyl)-1-(4-{2-[(2-thiophen-2-yl-ethylamino)-methyl]-phenyl}-piperazin-1-yl)-propan-1-one
CID 44395436
2-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[(2-thiophen-2-yl-ethylamino)-methyl]-phenyl}-piperazin-1-yl)-ethyl]-acetamide
CID 11296732
5-Bromo-N-({4-[4-(2-chlorophenyl)piperazine-1-carbonyl]cyclohexyl}methyl)thiophene-2-sulfonamide
CID 15989660
N-(3-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 16031687
N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide;hydrochloride
CID 16196843
N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]piperazin-1-yl]propan-2-yl]-2,2,2-trifluoroethanesulfonamide
CID 44395535

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide (CID 15989589) is N-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide is Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)CC1.
What is the InChIKey of N-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide?
The InChIKey is NYFHIGBZGXQCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3S2/c1-17-4-9-20(24)15-21(17)26-10-12-27(13-11-26)23(28)19-7-5-18(6-8-19)16-25-32(29,30)22-3-2-14-31-22/h2-4,9,14-15,18-19,25H,5-8,10-13,16H2,1H3.
What are the key properties of N-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide?
N-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide has a molecular weight of 496.10 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 15989589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).