4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide

C14H15ClN2O3S — CID 107734220

IUPAC4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1cccc(O)c1)S(=O)(=O)c1ccc(CN)cc1Cl
InChIInChI=1S/C14H15ClN2O3S/c1-17(11-3-2-4-12(18)8-11)21(19,20)14-6-5-10(9-16)7-13(14)15/h2-8,18H,9,16H2,1H3
InChIKeyCDGBSLUGOAAYKQ-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.33
Rot. Bonds4

About 4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide

4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 107734220) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
PubChem CID107734220
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1cccc(O)c1)S(=O)(=O)c1ccc(CN)cc1Cl
InChIInChI=1S/C14H15ClN2O3S/c1-17(11-3-2-4-12(18)8-11)21(19,20)14-6-5-10(9-16)7-13(14)15/h2-8,18H,9,16H2,1H3
InChIKeyCDGBSLUGOAAYKQ-UHFFFAOYSA-N
XLogP2.33
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-Chloro-2-hydroxybenzyl)amino]benzenesulfonamide
CID 29034199
4-[(3-Chloro-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 115950960
2-chloro-N-[3-hydroxy-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide;1-methylpyrrolidine
CID 142896442
2-chloro-4-fluoro-N-(3-hydroxyphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 60337189
2-chloro-N-(3-hydroxyphenyl)-N-(2-methylpropyl)-5-(trifluoromethyl)benzenesulfonamide
CID 60340710
2,5-Difluoro-N-(3-hydroxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 86779344
2-chloro-N-ethyl-5-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223850
5-amino-2-chloro-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733508
3-(aminomethyl)-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107734211
2-(aminomethyl)-3-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107734217
2-chloro-N-[3-hydroxy-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 142896443
2-chloro-5-cyano-N-(2-fluoro-5-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 167771283

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide (CID 107734220) is 4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide is CN(c1cccc(O)c1)S(=O)(=O)c1ccc(CN)cc1Cl.
What is the InChIKey of 4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is CDGBSLUGOAAYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-17(11-3-2-4-12(18)8-11)21(19,20)14-6-5-10(9-16)7-13(14)15/h2-8,18H,9,16H2,1H3.
What are the key properties of 4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 107734220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).