N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide

C16H18N2O4S2 — CID 7996091

IUPACN-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C16H18N2O4S2/c19-23(20,15-8-2-1-3-9-15)17-14-7-6-10-16(13-14)24(21,22)18-11-4-5-12-18/h1-3,6-10,13,17H,4-5,11-12H2
InChIKeyRMHBLDVNXNYCDG-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.27
Rot. Bonds5

About N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide

N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 7996091) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
PubChem CID7996091
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C16H18N2O4S2/c19-23(20,15-8-2-1-3-9-15)17-14-7-6-10-16(13-14)24(21,22)18-11-4-5-12-18/h1-3,6-10,13,17H,4-5,11-12H2
InChIKeyRMHBLDVNXNYCDG-UHFFFAOYSA-N
XLogP2.27
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)phenyl]benzenesulfonamide
CID 2919639
N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836
N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46474292
N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 5295909
3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 71903183
3-[(3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoate
CID 8015545
N-[3-(azepan-1-ylsulfonyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 4996463
N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31064984
N-(3-methylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 2696922
N-(3-piperidin-1-ylsulfonylphenyl)formamide
CID 168654481
2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide
CID 110312115
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide (CID 7996091) is N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1.
What is the InChIKey of N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is RMHBLDVNXNYCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c19-23(20,15-8-2-1-3-9-15)17-14-7-6-10-16(13-14)24(21,22)18-11-4-5-12-18/h1-3,6-10,13,17H,4-5,11-12H2.
What are the key properties of N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide?
N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 366.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 7996091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).