4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide

C17H22N2O2S — CID 112980396

IUPAC4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCC(C)C)cc2)cc1
InChIInChI=1S/C17H22N2O2S/c1-13(2)12-18-15-6-8-16(9-7-15)19-22(20,21)17-10-4-14(3)5-11-17/h4-11,13,18-19H,12H2,1-3H3
InChIKeyZMDQZOYSQVPHSM-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.86
Rot. Bonds6

About 4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide

4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide (PubChem CID 112980396) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide
PubChem CID112980396
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCC(C)C)cc2)cc1
InChIInChI=1S/C17H22N2O2S/c1-13(2)12-18-15-6-8-16(9-7-15)19-22(20,21)17-10-4-14(3)5-11-17/h4-11,13,18-19H,12H2,1-3H3
InChIKeyZMDQZOYSQVPHSM-UHFFFAOYSA-N
XLogP3.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(2-methylpropylamino)benzenesulfonamide
CID 43453809
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
N-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide
CID 169370593
4-ethylsulfonyl-N-(2-methylpropyl)aniline
CID 43453340
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 65481186
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
N-(2-hydroxypropyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 78800316
4-[(4-methylphenyl)sulfonylamino]benzenecarboximidate
CID 4744543

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide (CID 112980396) is 4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NCC(C)C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide?
The InChIKey is ZMDQZOYSQVPHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-13(2)12-18-15-6-8-16(9-7-15)19-22(20,21)17-10-4-14(3)5-11-17/h4-11,13,18-19H,12H2,1-3H3.
What are the key properties of 4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide?
4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112980396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).