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

C14H15ClN2O3S — CID 107734208

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

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

4-(aminomethyl)-3-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 107734208) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
PubChem CID107734208
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name4-(aminomethyl)-3-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1cccc(O)c1)S(=O)(=O)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C14H15ClN2O3S/c1-17(11-3-2-4-12(18)7-11)21(19,20)13-6-5-10(9-16)14(15)8-13/h2-8,18H,9,16H2,1H3
InChIKeyYMOZQTZYVHGDGO-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-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107734220
4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 113370372
4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide
CID 73347958
3-chloro-N-(4-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090740
3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733489
3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol
CID 107733664
4-(aminomethyl)-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 107091430
3-amino-4-chloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 58022194
4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 106070735
N-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide
CID 62969390
5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide
CID 107736812
4-(aminomethyl)-3-chlorophenol;dihydrochloride
CID 133059883

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide (CID 107734208) is 4-(aminomethyl)-3-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide is CN(c1cccc(O)c1)S(=O)(=O)c1ccc(CN)c(Cl)c1.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is YMOZQTZYVHGDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-17(11-3-2-4-12(18)7-11)21(19,20)13-6-5-10(9-16)14(15)8-13/h2-8,18H,9,16H2,1H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
4-(aminomethyl)-3-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)-3-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 107734208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).