3-[cyclopropyl(methyl)carbamoyl]-2,4,6-trimethylbenzenesulfonyl chloride

C14H18ClNO3S — CID 65371645

IUPAC3-[cyclopropyl(methyl)carbamoyl]-2,4,6-trimethylbenzenesulfonyl chloride
SMILESCc1cc(C)c(S(=O)(=O)Cl)c(C)c1C(=O)N(C)C1CC1
InChIInChI=1S/C14H18ClNO3S/c1-8-7-9(2)13(20(15,18)19)10(3)12(8)14(17)16(4)11-5-6-11/h7,11H,5-6H2,1-4H3
InChIKeyBCBARDZVHOCDGL-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.77
Rot. Bonds3

About 3-[cyclopropyl(methyl)carbamoyl]-2,4,6-trimethylbenzenesulfonyl chloride

3-[cyclopropyl(methyl)carbamoyl]-2,4,6-trimethylbenzenesulfonyl chloride (PubChem CID 65371645) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 3-[cyclopropyl(methyl)carbamoyl]-2,4,6-trimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-[cyclopropyl(methyl)carbamoyl]-2,4,6-trimethylbenzenesulfonyl chloride
PubChem CID65371645
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name3-[cyclopropyl(methyl)carbamoyl]-2,4,6-trimethylbenzenesulfonyl chloride
SMILESCc1cc(C)c(S(=O)(=O)Cl)c(C)c1C(=O)N(C)C1CC1
InChIInChI=1S/C14H18ClNO3S/c1-8-7-9(2)13(20(15,18)19)10(3)12(8)14(17)16(4)11-5-6-11/h7,11H,5-6H2,1-4H3
InChIKeyBCBARDZVHOCDGL-UHFFFAOYSA-N
XLogP2.77
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methyl)carbamoyl]-2,4,6-trimethylbenzenesulfonyl chloride?
The IUPAC name of 3-[cyclopropyl(methyl)carbamoyl]-2,4,6-trimethylbenzenesulfonyl chloride (CID 65371645) is 3-[cyclopropyl(methyl)carbamoyl]-2,4,6-trimethylbenzenesulfonyl chloride.
What is the SMILES notation for 3-[cyclopropyl(methyl)carbamoyl]-2,4,6-trimethylbenzenesulfonyl chloride?
The canonical SMILES for 3-[cyclopropyl(methyl)carbamoyl]-2,4,6-trimethylbenzenesulfonyl chloride is Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1C(=O)N(C)C1CC1.
What is the InChIKey of 3-[cyclopropyl(methyl)carbamoyl]-2,4,6-trimethylbenzenesulfonyl chloride?
The InChIKey is BCBARDZVHOCDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-8-7-9(2)13(20(15,18)19)10(3)12(8)14(17)16(4)11-5-6-11/h7,11H,5-6H2,1-4H3.
What are the key properties of 3-[cyclopropyl(methyl)carbamoyl]-2,4,6-trimethylbenzenesulfonyl chloride?
3-[cyclopropyl(methyl)carbamoyl]-2,4,6-trimethylbenzenesulfonyl chloride has a molecular weight of 315.82 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methyl)carbamoyl]-2,4,6-trimethylbenzenesulfonyl chloride is sourced from PubChem (CID 65371645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).