N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide

C14H14Cl2N2O2S — CID 43550905

IUPACN-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide
SMILESCN(Cc1cc(N)ccc1Cl)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2S/c1-18(9-10-7-12(17)5-6-14(10)16)21(19,20)13-4-2-3-11(15)8-13/h2-8H,9,17H2,1H3
InChIKeyYGTDRLXQWFGGCD-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.40
Rot. Bonds4

About N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide

N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide (PubChem CID 43550905) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide
PubChem CID43550905
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC NameN-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide
SMILESCN(Cc1cc(N)ccc1Cl)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2S/c1-18(9-10-7-12(17)5-6-14(10)16)21(19,20)13-4-2-3-11(15)8-13/h2-8H,9,17H2,1H3
InChIKeyYGTDRLXQWFGGCD-UHFFFAOYSA-N
XLogP3.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 4796698
3-amino-N-[(4-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105923
N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide
CID 43550900
N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690547
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide
CID 79652238
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61105357
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide
CID 81258266
2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 62158182
3-chloro-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzenesulfonamide
CID 39795407
2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105926

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide (CID 43550905) is N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide is CN(Cc1cc(N)ccc1Cl)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide?
The InChIKey is YGTDRLXQWFGGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-18(9-10-7-12(17)5-6-14(10)16)21(19,20)13-4-2-3-11(15)8-13/h2-8H,9,17H2,1H3.
What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide?
N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 43550905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).