2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-N-(thiophen-3-ylmethyl)benzamide

C17H19ClN2O3S2 — CID 18127125

IUPAC2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C17H19ClN2O3S2/c1-19(11-13-6-9-24-12-13)17(21)15-10-14(4-5-16(15)18)25(22,23)20-7-2-3-8-20/h4-6,9-10,12H,2-3,7-8,11H2,1H3
InChIKeySTDSKHQDUCVULB-UHFFFAOYSA-N
MW398.94 g/mol
LogP3.46
Rot. Bonds5

About 2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-N-(thiophen-3-ylmethyl)benzamide

2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 18127125) has the molecular formula C17H19ClN2O3S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-N-(thiophen-3-ylmethyl)benzamide
PubChem CID18127125
Molecular FormulaC17H19ClN2O3S2
Molecular Weight398.94 g/mol
Exact Mass398.05
IUPAC Name2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C17H19ClN2O3S2/c1-19(11-13-6-9-24-12-13)17(21)15-10-14(4-5-16(15)18)25(22,23)20-7-2-3-8-20/h4-6,9-10,12H,2-3,7-8,11H2,1H3
InChIKeySTDSKHQDUCVULB-UHFFFAOYSA-N
XLogP3.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 29441482
N-[(4-bromophenyl)methyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
CID 31145350
2-chloro-N-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzamide
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5-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylbenzamide
CID 24817034
N-(2-anilino-2-oxoethyl)-2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46415089
(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9054681
2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 78855508
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CID 55344689
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9304586
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 16533456
N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-N-(thiophen-3-ylmethyl)benzamide (CID 18127125) is 2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-N-(thiophen-3-ylmethyl)benzamide is CN(Cc1ccsc1)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is STDSKHQDUCVULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S2/c1-19(11-13-6-9-24-12-13)17(21)15-10-14(4-5-16(15)18)25(22,23)20-7-2-3-8-20/h4-6,9-10,12H,2-3,7-8,11H2,1H3.
What are the key properties of 2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-N-(thiophen-3-ylmethyl)benzamide?
2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 398.94 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 18127125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).