3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride

C8H11Cl2NO2S — CID 142417239

IUPAC3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C8H10ClNO2S.ClH/c1-10(2)13(11,12)8-5-3-4-7(9)6-8;/h3-6H,1-2H3;1H
InChIKeyLMDYYHAWLRLEAZ-UHFFFAOYSA-N
MW256.15 g/mol
LogP2.01
Rot. Bonds2

About 3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride

3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 142417239) has the molecular formula C8H11Cl2NO2S and a molecular weight of 256.15 g/mol. Its IUPAC name is 3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
PubChem CID142417239
Molecular FormulaC8H11Cl2NO2S
Molecular Weight256.15 g/mol
Exact Mass254.99
IUPAC Name3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C8H10ClNO2S.ClH/c1-10(2)13(11,12)8-5-3-4-7(9)6-8;/h3-6H,1-2H3;1H
InChIKeyLMDYYHAWLRLEAZ-UHFFFAOYSA-N
XLogP2.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethylazulene-5-sulfonamide
CID 67469153
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
1-N-(4-chloro-2-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 31689735
CID 71291795
CID 71291795
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57395160
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide
CID 79652238
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 4796698
N,N-dimethyl-3-methylsulfanylbenzenesulfonamide
CID 149258348
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776
N,N-dimethyl-3-nitrosobenzenesulfonamide
CID 146930978
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 9077073

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride (CID 142417239) is 3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride is CN(C)S(=O)(=O)c1cccc(Cl)c1.Cl.
What is the InChIKey of 3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is LMDYYHAWLRLEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S.ClH/c1-10(2)13(11,12)8-5-3-4-7(9)6-8;/h3-6H,1-2H3;1H.
What are the key properties of 3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride?
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 256.15 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 142417239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).