4-amino-N-(3-chlorophenyl)-N-(2-methylpropyl)benzenesulfonamide

C16H19ClN2O2S — CID 123596862

IUPAC4-amino-N-(3-chlorophenyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C16H19ClN2O2S/c1-12(2)11-19(15-5-3-4-13(17)10-15)22(20,21)16-8-6-14(18)7-9-16/h3-10,12H,11,18H2,1-2H3
InChIKeyUMPSPKHKMLHBNC-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.77
Rot. Bonds5

About 4-amino-N-(3-chlorophenyl)-N-(2-methylpropyl)benzenesulfonamide

4-amino-N-(3-chlorophenyl)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 123596862) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 4-amino-N-(3-chlorophenyl)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-chlorophenyl)-N-(2-methylpropyl)benzenesulfonamide
PubChem CID123596862
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name4-amino-N-(3-chlorophenyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C16H19ClN2O2S/c1-12(2)11-19(15-5-3-4-13(17)10-15)22(20,21)16-8-6-14(18)7-9-16/h3-10,12H,11,18H2,1-2H3
InChIKeyUMPSPKHKMLHBNC-UHFFFAOYSA-N
XLogP3.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30171025
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 23767179
propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890197
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30170999
2-(3-chloro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetic acid
CID 100515862
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92672006
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(2R)-butan-2-yl]acetamide
CID 40537954
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 30304078
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133249804
N-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide;hydrochloride
CID 44667844

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chlorophenyl)-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-chlorophenyl)-N-(2-methylpropyl)benzenesulfonamide (CID 123596862) is 4-amino-N-(3-chlorophenyl)-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-chlorophenyl)-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-chlorophenyl)-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(3-chlorophenyl)-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is UMPSPKHKMLHBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-12(2)11-19(15-5-3-4-13(17)10-15)22(20,21)16-8-6-14(18)7-9-16/h3-10,12H,11,18H2,1-2H3.
What are the key properties of 4-amino-N-(3-chlorophenyl)-N-(2-methylpropyl)benzenesulfonamide?
4-amino-N-(3-chlorophenyl)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 338.86 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chlorophenyl)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 123596862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).