3-[cyclopropyl(2-methoxyethyl)carbamoyl]-5-methylbenzenesulfonyl chloride

C14H18ClNO4S — CID 65372530

IUPAC3-[cyclopropyl(2-methoxyethyl)carbamoyl]-5-methylbenzenesulfonyl chloride
SMILESCOCCN(C(=O)c1cc(C)cc(S(=O)(=O)Cl)c1)C1CC1
InChIInChI=1S/C14H18ClNO4S/c1-10-7-11(9-13(8-10)21(15,18)19)14(17)16(5-6-20-2)12-3-4-12/h7-9,12H,3-6H2,1-2H3
InChIKeyKRVBNPGOZRJQHW-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.17
Rot. Bonds6

About 3-[cyclopropyl(2-methoxyethyl)carbamoyl]-5-methylbenzenesulfonyl chloride

3-[cyclopropyl(2-methoxyethyl)carbamoyl]-5-methylbenzenesulfonyl chloride (PubChem CID 65372530) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 3-[cyclopropyl(2-methoxyethyl)carbamoyl]-5-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-[cyclopropyl(2-methoxyethyl)carbamoyl]-5-methylbenzenesulfonyl chloride
PubChem CID65372530
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name3-[cyclopropyl(2-methoxyethyl)carbamoyl]-5-methylbenzenesulfonyl chloride
SMILESCOCCN(C(=O)c1cc(C)cc(S(=O)(=O)Cl)c1)C1CC1
InChIInChI=1S/C14H18ClNO4S/c1-10-7-11(9-13(8-10)21(15,18)19)14(17)16(5-6-20-2)12-3-4-12/h7-9,12H,3-6H2,1-2H3
InChIKeyKRVBNPGOZRJQHW-UHFFFAOYSA-N
XLogP2.17
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-methoxyethyl)carbamoyl]-5-methylbenzenesulfonyl chloride?
The IUPAC name of 3-[cyclopropyl(2-methoxyethyl)carbamoyl]-5-methylbenzenesulfonyl chloride (CID 65372530) is 3-[cyclopropyl(2-methoxyethyl)carbamoyl]-5-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-[cyclopropyl(2-methoxyethyl)carbamoyl]-5-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-[cyclopropyl(2-methoxyethyl)carbamoyl]-5-methylbenzenesulfonyl chloride is COCCN(C(=O)c1cc(C)cc(S(=O)(=O)Cl)c1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2-methoxyethyl)carbamoyl]-5-methylbenzenesulfonyl chloride?
The InChIKey is KRVBNPGOZRJQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-10-7-11(9-13(8-10)21(15,18)19)14(17)16(5-6-20-2)12-3-4-12/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 3-[cyclopropyl(2-methoxyethyl)carbamoyl]-5-methylbenzenesulfonyl chloride?
3-[cyclopropyl(2-methoxyethyl)carbamoyl]-5-methylbenzenesulfonyl chloride has a molecular weight of 331.82 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-methoxyethyl)carbamoyl]-5-methylbenzenesulfonyl chloride is sourced from PubChem (CID 65372530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).