3-methyl-N-[2-(N-methylanilino)phenyl]butane-1-sulfonamide

C18H24N2O2S — CID 56573435

IUPAC3-methyl-N-[2-(N-methylanilino)phenyl]butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1ccccc1N(C)c1ccccc1
InChIInChI=1S/C18H24N2O2S/c1-15(2)13-14-23(21,22)19-17-11-7-8-12-18(17)20(3)16-9-5-4-6-10-16/h4-12,15,19H,13-14H2,1-3H3
InChIKeyGFRHGEGMQCHNTB-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.24
Rot. Bonds7

About 3-methyl-N-[2-(N-methylanilino)phenyl]butane-1-sulfonamide

3-methyl-N-[2-(N-methylanilino)phenyl]butane-1-sulfonamide (PubChem CID 56573435) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-methyl-N-[2-(N-methylanilino)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(N-methylanilino)phenyl]butane-1-sulfonamide
PubChem CID56573435
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name3-methyl-N-[2-(N-methylanilino)phenyl]butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1ccccc1N(C)c1ccccc1
InChIInChI=1S/C18H24N2O2S/c1-15(2)13-14-23(21,22)19-17-11-7-8-12-18(17)20(3)16-9-5-4-6-10-16/h4-12,15,19H,13-14H2,1-3H3
InChIKeyGFRHGEGMQCHNTB-UHFFFAOYSA-N
XLogP4.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylbutylsulfonylamino)benzenesulfonamide
CID 63821952
3-methyl-N-[2-(trifluoromethoxy)phenyl]butane-1-sulfonamide
CID 56532305
N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide
CID 63856595
3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid
CID 113447522
N-(2-cyano-3-methylphenyl)-3-methylbutane-1-sulfonamide
CID 103920607
4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
CID 116815712
methyl 2-[2-(N-methylanilino)anilino]acetate
CID 47313605
N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide
CID 81433817
N-[2-(3-methylbutyl)phenyl]ethanesulfonamide
CID 59755785
4-fluoro-3-(3-methylbutylsulfonylamino)benzoic acid
CID 63820852
2-methyl-3-[methyl-[2-(propylsulfonylamino)benzoyl]amino]propanoic acid
CID 120524169
N-(3-chloroquinoxalin-2-yl)-3-methylbutane-1-sulfonamide
CID 102990258

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(N-methylanilino)phenyl]butane-1-sulfonamide?
The IUPAC name of 3-methyl-N-[2-(N-methylanilino)phenyl]butane-1-sulfonamide (CID 56573435) is 3-methyl-N-[2-(N-methylanilino)phenyl]butane-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(N-methylanilino)phenyl]butane-1-sulfonamide?
The canonical SMILES for 3-methyl-N-[2-(N-methylanilino)phenyl]butane-1-sulfonamide is CC(C)CCS(=O)(=O)Nc1ccccc1N(C)c1ccccc1.
What is the InChIKey of 3-methyl-N-[2-(N-methylanilino)phenyl]butane-1-sulfonamide?
The InChIKey is GFRHGEGMQCHNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-15(2)13-14-23(21,22)19-17-11-7-8-12-18(17)20(3)16-9-5-4-6-10-16/h4-12,15,19H,13-14H2,1-3H3.
What are the key properties of 3-methyl-N-[2-(N-methylanilino)phenyl]butane-1-sulfonamide?
3-methyl-N-[2-(N-methylanilino)phenyl]butane-1-sulfonamide has a molecular weight of 332.47 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(N-methylanilino)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 56573435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).