2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C17H16Cl2N2O3S — CID 3387472

IUPAC2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl2N2O3S/c18-12-3-8-16(19)15(11-12)17(22)20-13-4-6-14(7-5-13)25(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeySUWQJYRUAXXHQO-UHFFFAOYSA-N
MW399.30 g/mol
LogP4.03
Rot. Bonds4

About 2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 3387472) has the molecular formula C17H16Cl2N2O3S and a molecular weight of 399.30 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID3387472
Molecular FormulaC17H16Cl2N2O3S
Molecular Weight399.30 g/mol
Exact Mass398.03
IUPAC Name2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl2N2O3S/c18-12-3-8-16(19)15(11-12)17(22)20-13-4-6-14(7-5-13)25(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeySUWQJYRUAXXHQO-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

N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide
CID 1010211
4-chloro-2-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 60594030
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
2-chloro-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882584
2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26087511
3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3384883
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 100709394
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)urea
CID 1011433
methyl 2-chloro-5-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 38238302
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3344196
2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide
CID 17320187

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 3387472) is 2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is SUWQJYRUAXXHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S/c18-12-3-8-16(19)15(11-12)17(22)20-13-4-6-14(7-5-13)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 2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
2,5-dichloro-N-(4-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 2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 3387472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).