2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

C17H16Cl2N2O3S — CID 42991910

IUPAC2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N2O3S/c18-15-8-4-7-14(16(15)19)17(22)20-12-5-3-6-13(11-12)25(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyWACNXOHFPVYICR-UHFFFAOYSA-N
MW399.30 g/mol
LogP4.03
Rot. Bonds4

About 2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 42991910) has the molecular formula C17H16Cl2N2O3S and a molecular weight of 399.30 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID42991910
Molecular FormulaC17H16Cl2N2O3S
Molecular Weight399.30 g/mol
Exact Mass398.03
IUPAC Name2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N2O3S/c18-15-8-4-7-14(16(15)19)17(22)20-12-5-3-6-13(11-12)25(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyWACNXOHFPVYICR-UHFFFAOYSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759853
2,3-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18108806
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-chloro-5-methylsulfanylbenzamide
CID 26523987
2-methoxy-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759835
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252564
N-[3-(benzenesulfonamido)phenyl]-2,3-dichlorobenzamide
CID 46474289
6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 119179197
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087816
2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26914552
N-[3-(azepan-1-ylsulfonyl)phenyl]-7-chloro-1,3-benzodioxole-5-carboxamide
CID 39755188

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 42991910) is 2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is WACNXOHFPVYICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S/c18-15-8-4-7-14(16(15)19)17(22)20-12-5-3-6-13(11-12)25(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22).
What are the key properties of 2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 399.30 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 42991910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).