3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride

C10H11Cl2NO3S — CID 65370842

IUPAC3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride
SMILESCc1c(Cl)cc(C(=O)N(C)C)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H11Cl2NO3S/c1-6-8(11)4-7(10(14)13(2)3)5-9(6)17(12,15)16/h4-5H,1-3H3
InChIKeyGQRGXBMMQWVALV-UHFFFAOYSA-N
MW296.18 g/mol
LogP2.28
Rot. Bonds2

About 3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride

3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride (PubChem CID 65370842) has the molecular formula C10H11Cl2NO3S and a molecular weight of 296.18 g/mol. Its IUPAC name is 3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride
PubChem CID65370842
Molecular FormulaC10H11Cl2NO3S
Molecular Weight296.18 g/mol
Exact Mass294.98
IUPAC Name3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride
SMILESCc1c(Cl)cc(C(=O)N(C)C)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H11Cl2NO3S/c1-6-8(11)4-7(10(14)13(2)3)5-9(6)17(12,15)16/h4-5H,1-3H3
InChIKeyGQRGXBMMQWVALV-UHFFFAOYSA-N
XLogP2.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65396460
4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide
CID 81291381
3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide
CID 65387181
3-chloro-2-methyl-5-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 65396843
5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
CID 65372377
3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide
CID 65388313
N,N,4-trimethyl-3-methylsulfonylbenzamide
CID 118473526
3-chloro-4-methyl-5-sulfamoylbenzoyl chloride
CID 21394744
2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372566
2-bromo-3-chloro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 81295736
3-chloro-5-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65397644
3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide
CID 65387897

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride?
The IUPAC name of 3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride (CID 65370842) is 3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride is Cc1c(Cl)cc(C(=O)N(C)C)cc1S(=O)(=O)Cl.
What is the InChIKey of 3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride?
The InChIKey is GQRGXBMMQWVALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3S/c1-6-8(11)4-7(10(14)13(2)3)5-9(6)17(12,15)16/h4-5H,1-3H3.
What are the key properties of 3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride?
3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride has a molecular weight of 296.18 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 65370842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).