3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide

C11H17ClN2O2S — CID 29267246

IUPAC3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C11H17ClN2O2S/c1-8(2)5-6-14-17(15,16)9-3-4-10(12)11(13)7-9/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeyFOVCJXCTYCXUTR-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.25
Rot. Bonds5

About 3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide

3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 29267246) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide
PubChem CID29267246
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C11H17ClN2O2S/c1-8(2)5-6-14-17(15,16)9-3-4-10(12)11(13)7-9/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeyFOVCJXCTYCXUTR-UHFFFAOYSA-N
XLogP2.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.25
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

3-amino-4-chloro-N-(5-methylhexyl)benzenesulfonamide
CID 115324593
3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 53409667
4-chloro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 113098372
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
4-chloro-N-(3-methylbutyl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106059168
3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405354
4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide
CID 9172687
3-amino-4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924809
3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324605
3-bromo-4-chloro-N-(7-methyloctyl)benzenesulfonamide
CID 106612008
3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106899207
3-(aminomethyl)-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 28716883

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide (CID 29267246) is 3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide is CC(C)CCNS(=O)(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is FOVCJXCTYCXUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-8(2)5-6-14-17(15,16)9-3-4-10(12)11(13)7-9/h3-4,7-8,14H,5-6,13H2,1-2H3.
What are the key properties of 3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide?
3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 276.79 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 29267246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).