2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride

C12H13Cl2NO3S — CID 65370751

IUPAC2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
SMILESCC(NC(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1)C1CC1
InChIInChI=1S/C12H13Cl2NO3S/c1-7(8-2-3-8)15-12(16)9-4-5-10(13)11(6-9)19(14,17)18/h4-8H,2-3H2,1H3,(H,15,16)
InChIKeyZGJTZGDANFAKHU-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.80
Rot. Bonds4

About 2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride

2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65370751) has the molecular formula C12H13Cl2NO3S and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
PubChem CID65370751
Molecular FormulaC12H13Cl2NO3S
Molecular Weight322.21 g/mol
Exact Mass321.00
IUPAC Name2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
SMILESCC(NC(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1)C1CC1
InChIInChI=1S/C12H13Cl2NO3S/c1-7(8-2-3-8)15-12(16)9-4-5-10(13)11(6-9)19(14,17)18/h4-8H,2-3H2,1H3,(H,15,16)
InChIKeyZGJTZGDANFAKHU-UHFFFAOYSA-N
XLogP2.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65373055
5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65396118
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105
3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide
CID 42919481
3-bromo-5-(1-cyclopropylethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 81488328
3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide
CID 103222229
5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
CID 65370368
3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392061
2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65398326
4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 35230890
5-chloro-3-(1-cyclopropylethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 82890365
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride (CID 65370751) is 2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride is CC(NC(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1)C1CC1.
What is the InChIKey of 2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is ZGJTZGDANFAKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3S/c1-7(8-2-3-8)15-12(16)9-4-5-10(13)11(6-9)19(14,17)18/h4-8H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride?
2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 322.21 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65370751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).