4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide

C12H19ClN2O2S — CID 64569597

IUPAC4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
SMILESCC(C)C(C)CNS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H19ClN2O2S/c1-8(2)9(3)7-15-18(16,17)12-5-4-10(14)6-11(12)13/h4-6,8-9,15H,7,14H2,1-3H3
InChIKeyPNRMFWRHPFXQSB-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.49
Rot. Bonds5

About 4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide

4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide (PubChem CID 64569597) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
PubChem CID64569597
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
SMILESCC(C)C(C)CNS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H19ClN2O2S/c1-8(2)9(3)7-15-18(16,17)12-5-4-10(14)6-11(12)13/h4-6,8-9,15H,7,14H2,1-3H3
InChIKeyPNRMFWRHPFXQSB-UHFFFAOYSA-N
XLogP2.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.49
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-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63980942
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599
2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 64568404
4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372042
4-amino-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476056
4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102904883
4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903343
3-chloro-4-pentan-3-ylsulfonylaniline
CID 81181473
4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012665
4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316375
4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide
CID 106289599
4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006773

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide (CID 64569597) is 4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide is CC(C)C(C)CNS(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide?
The InChIKey is PNRMFWRHPFXQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-8(2)9(3)7-15-18(16,17)12-5-4-10(14)6-11(12)13/h4-6,8-9,15H,7,14H2,1-3H3.
What are the key properties of 4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide?
4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide has a molecular weight of 290.82 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide is sourced from PubChem (CID 64569597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).