N-(3-prop-1-ynylphenyl)benzenesulfonamide

C15H13NO2S — CID 155934453

IUPACN-(3-prop-1-ynylphenyl)benzenesulfonamide
SMILESCC#Cc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H13NO2S/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,1H3
InChIKeyXPSZZQCCMQNRJX-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.86
Rot. Bonds3

About N-(3-prop-1-ynylphenyl)benzenesulfonamide

N-(3-prop-1-ynylphenyl)benzenesulfonamide (PubChem CID 155934453) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(3-prop-1-ynylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-prop-1-ynylphenyl)benzenesulfonamide
PubChem CID155934453
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC NameN-(3-prop-1-ynylphenyl)benzenesulfonamide
SMILESCC#Cc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H13NO2S/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,1H3
InChIKeyXPSZZQCCMQNRJX-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide
CID 170620107
N-[3-[2-(4,6-diaminopyrimidin-5-yl)ethynyl]phenyl]benzenesulfonamide
CID 59744301
N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide
CID 112989986
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide
CID 143133265
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
3-[2-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]ethynyl]benzoic acid
CID 25358850
3-methylsulfonyl-N-phenylbenzenesulfonamide
CID 6461889
4-chloro-N-(3-hex-1-ynylphenyl)benzenesulfonamide
CID 3825437
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363
methyl 3-[2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]ethynyl]benzoate
CID 31787522

Frequently Asked Questions

What is the IUPAC name of N-(3-prop-1-ynylphenyl)benzenesulfonamide?
The IUPAC name of N-(3-prop-1-ynylphenyl)benzenesulfonamide (CID 155934453) is N-(3-prop-1-ynylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3-prop-1-ynylphenyl)benzenesulfonamide?
The canonical SMILES for N-(3-prop-1-ynylphenyl)benzenesulfonamide is CC#Cc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-prop-1-ynylphenyl)benzenesulfonamide?
The InChIKey is XPSZZQCCMQNRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/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,1H3.
What are the key properties of N-(3-prop-1-ynylphenyl)benzenesulfonamide?
N-(3-prop-1-ynylphenyl)benzenesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-prop-1-ynylphenyl)benzenesulfonamide is sourced from PubChem (CID 155934453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).