N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C23H23N3O5S2 — CID 46474292

IUPACN-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C23H23N3O5S2/c27-23(18-8-6-13-22(16-18)33(30,31)26-14-4-5-15-26)24-19-9-7-10-20(17-19)25-32(28,29)21-11-2-1-3-12-21/h1-3,6-13,16-17,25H,4-5,14-15H2,(H,24,27)
InChIKeyRUDPZCWJGMYFMZ-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.52
Rot. Bonds7

About N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 46474292) has the molecular formula C23H23N3O5S2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID46474292
Molecular FormulaC23H23N3O5S2
Molecular Weight485.59 g/mol
Exact Mass485.11
IUPAC NameN-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C23H23N3O5S2/c27-23(18-8-6-13-22(16-18)33(30,31)26-14-4-5-15-26)24-19-9-7-10-20(17-19)25-32(28,29)21-11-2-1-3-12-21/h1-3,6-13,16-17,25H,4-5,14-15H2,(H,24,27)
InChIKeyRUDPZCWJGMYFMZ-UHFFFAOYSA-N
XLogP3.52
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 7996091
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
N-[3-(azepan-1-ylsulfonyl)phenyl]benzenesulfonamide
CID 2919639
3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46771385
N-[4-(methylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19257416
4-[(4-methylphenyl)sulfamoyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3291501
3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
CID 4851259
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095
3-[(3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoate
CID 8015545
N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 5295909

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 46474292) is N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is RUDPZCWJGMYFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S2/c27-23(18-8-6-13-22(16-18)33(30,31)26-14-4-5-15-26)24-19-9-7-10-20(17-19)25-32(28,29)21-11-2-1-3-12-21/h1-3,6-13,16-17,25H,4-5,14-15H2,(H,24,27).
What are the key properties of N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 485.59 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 46474292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).