4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide

C13H21ClN2O2S — CID 115330116

IUPAC4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C13H21ClN2O2S/c1-9(2)4-5-10(3)16-19(17,18)11-6-7-13(15)12(14)8-11/h6-10,16H,4-5,15H2,1-3H3
InChIKeyRPMGMWOECZPLLU-UHFFFAOYSA-N
MW304.84 g/mol
LogP3.03
Rot. Bonds6

About 4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide

4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide (PubChem CID 115330116) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide
PubChem CID115330116
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C13H21ClN2O2S/c1-9(2)4-5-10(3)16-19(17,18)11-6-7-13(15)12(14)8-11/h6-10,16H,4-5,15H2,1-3H3
InChIKeyRPMGMWOECZPLLU-UHFFFAOYSA-N
XLogP3.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-chloro-N-heptan-2-ylbenzenesulfonamide
CID 115329836
4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 113288423
3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 8893168
3-(5-methylhexan-2-ylsulfamoyl)benzenesulfonyl chloride
CID 63926914
N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide
CID 31481331
2-chloro-N-[(2S)-5-methylhexan-2-yl]-5-methylsulfonylbenzenesulfonamide
CID 35295404
4-(5-methylhexan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958176
3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide
CID 29267246
3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43579029
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83177701
4-amino-3-bromo-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 113476908
3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502121

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide (CID 115330116) is 4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide is CC(C)CCC(C)NS(=O)(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide?
The InChIKey is RPMGMWOECZPLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S/c1-9(2)4-5-10(3)16-19(17,18)11-6-7-13(15)12(14)8-11/h6-10,16H,4-5,15H2,1-3H3.
What are the key properties of 4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide?
4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide has a molecular weight of 304.84 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide is sourced from PubChem (CID 115330116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).