N-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide

C17H15ClN2O3S2 — CID 47517698

IUPACN-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccccc1)c1c[nH]cc1-c1ccc(Cl)s1
InChIInChI=1S/C17H15ClN2O3S2/c18-16-7-6-15(24-16)13-10-19-11-14(13)17(21)20-8-9-25(22,23)12-4-2-1-3-5-12/h1-7,10-11,19H,8-9H2,(H,20,21)
InChIKeyRNTGUBVWGMMUHF-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.60
Rot. Bonds6

About N-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide

N-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide (PubChem CID 47517698) has the molecular formula C17H15ClN2O3S2 and a molecular weight of 394.91 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide
PubChem CID47517698
Molecular FormulaC17H15ClN2O3S2
Molecular Weight394.91 g/mol
Exact Mass394.02
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccccc1)c1c[nH]cc1-c1ccc(Cl)s1
InChIInChI=1S/C17H15ClN2O3S2/c18-16-7-6-15(24-16)13-10-19-11-14(13)17(21)20-8-9-25(22,23)12-4-2-1-3-5-12/h1-7,10-11,19H,8-9H2,(H,20,21)
InChIKeyRNTGUBVWGMMUHF-UHFFFAOYSA-N
XLogP3.60
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 75405279
N-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide
CID 78902463
4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide
CID 52537373
N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide
CID 47038015
4-(5-chlorothiophen-2-yl)-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 131962937
(2R)-2-[[4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363106
(2S)-2-[[4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonyl]amino]hexanoic acid
CID 120615047
N-[2-(benzenesulfonyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 60515488
N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide
CID 60515386
N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide
CID 47038001
4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide
CID 167943228
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide (CID 47517698) is N-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide is O=C(NCCS(=O)(=O)c1ccccc1)c1c[nH]cc1-c1ccc(Cl)s1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is RNTGUBVWGMMUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S2/c18-16-7-6-15(24-16)13-10-19-11-14(13)17(21)20-8-9-25(22,23)12-4-2-1-3-5-12/h1-7,10-11,19H,8-9H2,(H,20,21).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide?
N-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 47517698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).