N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide

C24H25Cl2F3N4O5S2 — CID 164863477

IUPACN-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide
SMILESCCCN(c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1)S(=O)(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C24H25Cl2F3N4O5S2/c1-2-11-33(40(37,38)17-9-12-32(13-10-17)23(34)24(27,28)29)15-3-5-16(6-4-15)39(35,36)31-20-8-7-18(25)21-19(26)14-30-22(20)21/h3-8,14,17,30-31H,2,9-13H2,1H3
InChIKeyMXMLXJVQRZXGHI-UHFFFAOYSA-N
MW641.52 g/mol
LogP5.38
Rot. Bonds8

About N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide

N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide (PubChem CID 164863477) has the molecular formula C24H25Cl2F3N4O5S2 and a molecular weight of 641.52 g/mol. Its IUPAC name is N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide
PubChem CID164863477
Molecular FormulaC24H25Cl2F3N4O5S2
Molecular Weight641.52 g/mol
Exact Mass640.06
IUPAC NameN-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide
SMILESCCCN(c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1)S(=O)(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C24H25Cl2F3N4O5S2/c1-2-11-33(40(37,38)17-9-12-32(13-10-17)23(34)24(27,28)29)15-3-5-16(6-4-15)39(35,36)31-20-8-7-18(25)21-19(26)14-30-22(20)21/h3-8,14,17,30-31H,2,9-13H2,1H3
InChIKeyMXMLXJVQRZXGHI-UHFFFAOYSA-N
XLogP5.38
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.52
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-1H-indol-7-yl)-4-(methanesulfonamido)benzenesulfonamide
CID 10548962
4-Amino-n-(3,4-dichloro-1h-indol-7-yl)benzenesulfonamide
CID 12043151
1-[5-[4-[3-Chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylindol-1-yl]ethanone
CID 145915906
4-Amino-N-(3-chloro-4-fluoro-1H-indol-7-yl)benzenesulfonamide
CID 12043152
4-Chloro-N-(4-chloro-1H-indol-7-yl)benzenesulfonamide
CID 44273585
N-(3,4-dichloro-1H-indol-7-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 175664445
N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethylsulfonylamino)benzenesulfonamide
CID 22228577
N-(4-chloro-2,5-difluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide
CID 135187022
N-(4-chloro-2-fluorophenyl)-8-oxo-1,9-dihydropyrrolo[3,2-h]quinoline-3-sulfonamide
CID 142393388
5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1H-indole
CID 156252502
N-(3,4-dichloro-1H-indol-7-yl)-4-[N-ethyl-S-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonimidoyl]benzenesulfonamide
CID 164863435
1-[4-[S-[4-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanylphenyl]-N-ethylsulfinimidoyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 164863443

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide?
The IUPAC name of N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide (CID 164863477) is N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide.
What is the SMILES notation for N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide?
The canonical SMILES for N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide is CCCN(c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1)S(=O)(=O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide?
The InChIKey is MXMLXJVQRZXGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2F3N4O5S2/c1-2-11-33(40(37,38)17-9-12-32(13-10-17)23(34)24(27,28)29)15-3-5-16(6-4-15)39(35,36)31-20-8-7-18(25)21-19(26)14-30-22(20)21/h3-8,14,17,30-31H,2,9-13H2,1H3.
What are the key properties of N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide?
N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide has a molecular weight of 641.52 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide is sourced from PubChem (CID 164863477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).