N-chloro-3-methylbenzenesulfonamide

C7H8ClNO2S — CID 18672211

IUPACN-chloro-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCl)c1
InChIInChI=1S/C7H8ClNO2S/c1-6-3-2-4-7(5-6)12(10,11)9-8/h2-5,9H,1H3
InChIKeyVODZGEMQWACUMB-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.43
Rot. Bonds2

About N-chloro-3-methylbenzenesulfonamide

N-chloro-3-methylbenzenesulfonamide (PubChem CID 18672211) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is N-chloro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-chloro-3-methylbenzenesulfonamide
PubChem CID18672211
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC NameN-chloro-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCl)c1
InChIInChI=1S/C7H8ClNO2S/c1-6-3-2-4-7(5-6)12(10,11)9-8/h2-5,9H,1H3
InChIKeyVODZGEMQWACUMB-UHFFFAOYSA-N
XLogP1.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethylbenzenesulfonamide;ethane
CID 143402177
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
(3-methylphenyl)sulfonylurea
CID 46224904
N-(2-chloropropyl)-3-methylbenzenesulfonamide
CID 65033837
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
sodium 3-methylbenzenesulfonate
CID 23684709
N-chloro-3-formylbenzenesulfonamide
CID 87179067
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
(3-methylphenyl)sulfonylazanide
CID 158627668
3-methylbenzenesulfonamide
CID 69347063
N-(3-cyanopentan-3-yl)-3-methylbenzenesulfonamide
CID 61123518
N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107234034

Frequently Asked Questions

What is the IUPAC name of N-chloro-3-methylbenzenesulfonamide?
The IUPAC name of N-chloro-3-methylbenzenesulfonamide (CID 18672211) is N-chloro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-chloro-3-methylbenzenesulfonamide?
The canonical SMILES for N-chloro-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCl)c1.
What is the InChIKey of N-chloro-3-methylbenzenesulfonamide?
The InChIKey is VODZGEMQWACUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c1-6-3-2-4-7(5-6)12(10,11)9-8/h2-5,9H,1H3.
What are the key properties of N-chloro-3-methylbenzenesulfonamide?
N-chloro-3-methylbenzenesulfonamide has a molecular weight of 205.67 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-3-methylbenzenesulfonamide is sourced from PubChem (CID 18672211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).