N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide

C8H10ClNO3S2 — CID 47108883

IUPACN-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide
SMILESCC(C)C(=O)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO3S2/c1-5(2)8(11)10-15(12,13)7-4-3-6(9)14-7/h3-5H,1-2H3,(H,10,11)
InChIKeyMWMBOEIIBSPXPU-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.86
Rot. Bonds3

About N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide

N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide (PubChem CID 47108883) has the molecular formula C8H10ClNO3S2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide
PubChem CID47108883
Molecular FormulaC8H10ClNO3S2
Molecular Weight267.76 g/mol
Exact Mass266.98
IUPAC NameN-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide
SMILESCC(C)C(=O)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO3S2/c1-5(2)8(11)10-15(12,13)7-4-3-6(9)14-7/h3-5H,1-2H3,(H,10,11)
InChIKeyMWMBOEIIBSPXPU-UHFFFAOYSA-N
XLogP1.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(5-chlorothiophen-2-yl)sulfonyl-2-(4-methoxyphenoxy)propanamide
CID 94187653
2-amino-N-(5-chlorothiophen-2-yl)sulfonylacetamide
CID 68844992
1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea
CID 134117146
N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide
CID 8500723
2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide
CID 47108955
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide
CID 78786909
methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate
CID 8501031
2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid
CID 117037892
N-(5-chlorothiophen-2-yl)sulfonylfuran-2-carboxamide
CID 47108903
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
(2S)-2-[[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]amino]-3-methylbutanoic acid
CID 119359903
N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide
CID 141150888

Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide (CID 47108883) is N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide is CC(C)C(=O)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide?
The InChIKey is MWMBOEIIBSPXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S2/c1-5(2)8(11)10-15(12,13)7-4-3-6(9)14-7/h3-5H,1-2H3,(H,10,11).
What are the key properties of N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide?
N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide has a molecular weight of 267.76 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 47108883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).