2-(dimethylamino)-5-(propan-2-ylcarbamoyl)benzenesulfonyl chloride

C12H17ClN2O3S — CID 65368415

IUPAC2-(dimethylamino)-5-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCC(C)NC(=O)c1ccc(N(C)C)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c1-8(2)14-12(16)9-5-6-10(15(3)4)11(7-9)19(13,17)18/h5-8H,1-4H3,(H,14,16)
InChIKeyBHQXAMLFDFYWPQ-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.82
Rot. Bonds4

About 2-(dimethylamino)-5-(propan-2-ylcarbamoyl)benzenesulfonyl chloride

2-(dimethylamino)-5-(propan-2-ylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65368415) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-(dimethylamino)-5-(propan-2-ylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-(dimethylamino)-5-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
PubChem CID65368415
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name2-(dimethylamino)-5-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCC(C)NC(=O)c1ccc(N(C)C)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c1-8(2)14-12(16)9-5-6-10(15(3)4)11(7-9)19(13,17)18/h5-8H,1-4H3,(H,14,16)
InChIKeyBHQXAMLFDFYWPQ-UHFFFAOYSA-N
XLogP1.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
4-(dimethylamino)-N-(1-methoxypropan-2-yl)-3-sulfamoylbenzamide
CID 65375926
4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 100786469
cyclobutyl 3-chlorosulfonyl-4-(dimethylamino)benzoate
CID 65375300
5-(4-methoxybutan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65396135
2-methoxy-5-(pentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368816
2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65397858
2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65398326
5-(butan-2-ylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride
CID 65368758
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370050
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
4-chloro-N-propan-2-ylbenzamide
CID 24045

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-(propan-2-ylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-(dimethylamino)-5-(propan-2-ylcarbamoyl)benzenesulfonyl chloride (CID 65368415) is 2-(dimethylamino)-5-(propan-2-ylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-(dimethylamino)-5-(propan-2-ylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-(dimethylamino)-5-(propan-2-ylcarbamoyl)benzenesulfonyl chloride is CC(C)NC(=O)c1ccc(N(C)C)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-(dimethylamino)-5-(propan-2-ylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is BHQXAMLFDFYWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-8(2)14-12(16)9-5-6-10(15(3)4)11(7-9)19(13,17)18/h5-8H,1-4H3,(H,14,16).
What are the key properties of 2-(dimethylamino)-5-(propan-2-ylcarbamoyl)benzenesulfonyl chloride?
2-(dimethylamino)-5-(propan-2-ylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 304.80 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-(propan-2-ylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65368415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).