N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide

C19H16ClN3O4S3 — CID 166191023

IUPACN-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H16ClN3O4S3/c20-14-6-8-16(9-7-14)29-12-17(24)21-22-19(25)13-3-1-4-15(11-13)23-30(26,27)18-5-2-10-28-18/h1-11,23H,12H2,(H,21,24)(H,22,25)
InChIKeyGCXMSBROUHKQNR-UHFFFAOYSA-N
MW482.01 g/mol
LogP3.76
Rot. Bonds7

About N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide

N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 166191023) has the molecular formula C19H16ClN3O4S3 and a molecular weight of 482.01 g/mol. Its IUPAC name is N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID166191023
Molecular FormulaC19H16ClN3O4S3
Molecular Weight482.01 g/mol
Exact Mass481.00
IUPAC NameN-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H16ClN3O4S3/c20-14-6-8-16(9-7-14)29-12-17(24)21-22-19(25)13-3-1-4-15(11-13)23-30(26,27)18-5-2-10-28-18/h1-11,23H,12H2,(H,21,24)(H,22,25)
InChIKeyGCXMSBROUHKQNR-UHFFFAOYSA-N
XLogP3.76
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.01
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786642
N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 31469976
N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23096482
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
2,5-dichloro-N-[4-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-3-sulfonamide
CID 4847454
N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23095595
(2R)-N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]oxolane-2-carboxamide
CID 25470546
N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
N-(4-chlorophenyl)-3-[(3-thiophen-2-ylpropanoylamino)carbamoyl]benzenesulfonamide
CID 24540531
N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119432119
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
4-chloro-N'-thiophen-2-ylsulfonylbenzohydrazide
CID 8500420

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide (CID 166191023) is N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide is O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is GCXMSBROUHKQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4S3/c20-14-6-8-16(9-7-14)29-12-17(24)21-22-19(25)13-3-1-4-15(11-13)23-30(26,27)18-5-2-10-28-18/h1-11,23H,12H2,(H,21,24)(H,22,25).
What are the key properties of N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 482.01 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 166191023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).