N-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide

C16H20N2O2S — CID 110827096

IUPACN-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide
SMILESCC(C)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-13(2)17-14-9-11-16(12-10-14)21(19,20)18(3)15-7-5-4-6-8-15/h4-13,17H,1-3H3
InChIKeyMZDAARWTCVDYSB-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.33
Rot. Bonds5

About N-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide

N-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide (PubChem CID 110827096) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide
PubChem CID110827096
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide
SMILESCC(C)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-13(2)17-14-9-11-16(12-10-14)21(19,20)18(3)15-7-5-4-6-8-15/h4-13,17H,1-3H3
InChIKeyMZDAARWTCVDYSB-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-butan-2-yl]-N-methyl-N-phenylbenzenesulfonamide
CID 925037
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488
N-methyl-4-phenoxy-N-phenylbenzenesulfonamide
CID 802691
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
N-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide
CID 110827502
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2710071
4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide
CID 78774991
2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8919272
benzyl N-[4-[methyl(phenyl)sulfamoyl]phenyl]carbamate
CID 4935758

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide?
The IUPAC name of N-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide (CID 110827096) is N-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide?
The canonical SMILES for N-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide is CC(C)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide?
The InChIKey is MZDAARWTCVDYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13(2)17-14-9-11-16(12-10-14)21(19,20)18(3)15-7-5-4-6-8-15/h4-13,17H,1-3H3.
What are the key properties of N-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide?
N-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4-(propan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 110827096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).