2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride

C12H13Cl2NO3S — CID 65372790

IUPAC2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride
SMILESCCN(C(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1)C1CC1
InChIInChI=1S/C12H13Cl2NO3S/c1-2-15(9-4-5-9)12(16)8-3-6-10(13)11(7-8)19(14,17)18/h3,6-7,9H,2,4-5H2,1H3
InChIKeyNXNOWNLTYFWEGI-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.89
Rot. Bonds4

About 2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride

2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65372790) has the molecular formula C12H13Cl2NO3S and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65372790
Molecular FormulaC12H13Cl2NO3S
Molecular Weight322.21 g/mol
Exact Mass321.00
IUPAC Name2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride
SMILESCCN(C(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1)C1CC1
InChIInChI=1S/C12H13Cl2NO3S/c1-2-15(9-4-5-9)12(16)8-3-6-10(13)11(7-8)19(14,17)18/h3,6-7,9H,2,4-5H2,1H3
InChIKeyNXNOWNLTYFWEGI-UHFFFAOYSA-N
XLogP2.89
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide
CID 103841594
4-chloro-3-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65372864
4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 31818714
2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride
CID 88831964
N-cyclopropyl-N-ethyl-3-sulfanylbenzamide
CID 107022345
3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65373058
4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 47155368
3-bromo-N-cyclopropyl-N-ethylbenzamide
CID 43243353
methyl 4-chloro-3-chlorosulfonylbenzoate
CID 18071846
N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18156104
2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid
CID 54946136
3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide
CID 43270676

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride (CID 65372790) is 2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride is CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1)C1CC1.
What is the InChIKey of 2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is NXNOWNLTYFWEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3S/c1-2-15(9-4-5-9)12(16)8-3-6-10(13)11(7-8)19(14,17)18/h3,6-7,9H,2,4-5H2,1H3.
What are the key properties of 2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride?
2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 322.21 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65372790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).