3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide

C15H17ClN2O2S — CID 106899207

IUPAC3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccc(Cl)c(N)c2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-2-11-3-5-12(6-4-11)10-18-21(19,20)13-7-8-14(16)15(17)9-13/h3-9,18H,2,10,17H2,1H3
InChIKeyINYMNCCTDBXXBS-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.96
Rot. Bonds5

About 3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide

3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide (PubChem CID 106899207) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide
PubChem CID106899207
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccc(Cl)c(N)c2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-2-11-3-5-12(6-4-11)10-18-21(19,20)13-7-8-14(16)15(17)9-13/h3-9,18H,2,10,17H2,1H3
InChIKeyINYMNCCTDBXXBS-UHFFFAOYSA-N
XLogP2.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.96
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-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 62539057
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 28970051
3-amino-4-chloro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028920
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide
CID 29267246
3-amino-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65246459
N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide
CID 106900182
4-(bromomethyl)-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106900636
3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881548
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405354
3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 53409667

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide (CID 106899207) is 3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide is CCc1ccc(CNS(=O)(=O)c2ccc(Cl)c(N)c2)cc1.
What is the InChIKey of 3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide?
The InChIKey is INYMNCCTDBXXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-2-11-3-5-12(6-4-11)10-18-21(19,20)13-7-8-14(16)15(17)9-13/h3-9,18H,2,10,17H2,1H3.
What are the key properties of 3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide?
3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 2.96, 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-[(4-ethylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106899207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).