N-benzyl-4-(2-methylpropylamino)benzenesulfonamide

C17H22N2O2S — CID 735448

IUPACN-benzyl-4-(2-methylpropylamino)benzenesulfonamide
SMILESCC(C)CNc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H22N2O2S/c1-14(2)12-18-16-8-10-17(11-9-16)22(20,21)19-13-15-6-4-3-5-7-15/h3-11,14,18-19H,12-13H2,1-2H3
InChIKeyAUQBAHPWBMRSNG-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.23
Rot. Bonds7

About N-benzyl-4-(2-methylpropylamino)benzenesulfonamide

N-benzyl-4-(2-methylpropylamino)benzenesulfonamide (PubChem CID 735448) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-benzyl-4-(2-methylpropylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(2-methylpropylamino)benzenesulfonamide
PubChem CID735448
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-benzyl-4-(2-methylpropylamino)benzenesulfonamide
SMILESCC(C)CNc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H22N2O2S/c1-14(2)12-18-16-8-10-17(11-9-16)22(20,21)19-13-15-6-4-3-5-7-15/h3-11,14,18-19H,12-13H2,1-2H3
InChIKeyAUQBAHPWBMRSNG-UHFFFAOYSA-N
XLogP3.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(2-methylpropylamino)benzenesulfonamide
CID 43453809
N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide
CID 2566445
N-benzyl-4-(2-methylpropoxy)benzenesulfonamide
CID 826388
4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide
CID 20973707
N-[(2R)-2,4-dihydroxy-4-phenylbutyl]-4-(2-methylpropylamino)benzenesulfonamide
CID 175716954
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
1-[4-(benzylsulfamoyl)phenyl]-3-phenylthiourea
CID 4928890
4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide
CID 112980396
4-ethylsulfonyl-N-(2-methylpropyl)aniline
CID 43453340

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-methylpropylamino)benzenesulfonamide?
The IUPAC name of N-benzyl-4-(2-methylpropylamino)benzenesulfonamide (CID 735448) is N-benzyl-4-(2-methylpropylamino)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-(2-methylpropylamino)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-(2-methylpropylamino)benzenesulfonamide is CC(C)CNc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-(2-methylpropylamino)benzenesulfonamide?
The InChIKey is AUQBAHPWBMRSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-14(2)12-18-16-8-10-17(11-9-16)22(20,21)19-13-15-6-4-3-5-7-15/h3-11,14,18-19H,12-13H2,1-2H3.
What are the key properties of N-benzyl-4-(2-methylpropylamino)benzenesulfonamide?
N-benzyl-4-(2-methylpropylamino)benzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-methylpropylamino)benzenesulfonamide is sourced from PubChem (CID 735448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).