N-(3-propylphenyl)benzenesulfonamide

C15H17NO2S — CID 71064838

IUPACN-(3-propylphenyl)benzenesulfonamide
SMILESCCCc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H17NO2S/c1-2-7-13-8-6-9-14(12-13)16-19(17,18)15-10-4-3-5-11-15/h3-6,8-12,16H,2,7H2,1H3
InChIKeyOCMQMQHOMLPPFX-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.44
Rot. Bonds5

About N-(3-propylphenyl)benzenesulfonamide

N-(3-propylphenyl)benzenesulfonamide (PubChem CID 71064838) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(3-propylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-propylphenyl)benzenesulfonamide
PubChem CID71064838
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-(3-propylphenyl)benzenesulfonamide
SMILESCCCc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H17NO2S/c1-2-7-13-8-6-9-14(12-13)16-19(17,18)15-10-4-3-5-11-15/h3-6,8-12,16H,2,7H2,1H3
InChIKeyOCMQMQHOMLPPFX-UHFFFAOYSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
3-[(3-propylphenyl)sulfonylamino]benzoic acid
CID 171621009
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
CID 11849197
N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
CID 141178655
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363
N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097761
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide
CID 43606244
N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide
CID 175146708
N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide
CID 175149395
N-[3-[(3S)-3-hydroxy-5-phenoxypentyl]phenyl]benzenesulfonamide
CID 175359249

Frequently Asked Questions

What is the IUPAC name of N-(3-propylphenyl)benzenesulfonamide?
The IUPAC name of N-(3-propylphenyl)benzenesulfonamide (CID 71064838) is N-(3-propylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3-propylphenyl)benzenesulfonamide?
The canonical SMILES for N-(3-propylphenyl)benzenesulfonamide is CCCc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-propylphenyl)benzenesulfonamide?
The InChIKey is OCMQMQHOMLPPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-7-13-8-6-9-14(12-13)16-19(17,18)15-10-4-3-5-11-15/h3-6,8-12,16H,2,7H2,1H3.
What are the key properties of N-(3-propylphenyl)benzenesulfonamide?
N-(3-propylphenyl)benzenesulfonamide has a molecular weight of 275.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propylphenyl)benzenesulfonamide is sourced from PubChem (CID 71064838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).