2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride

C15H20ClNO3S — CID 65397672

IUPAC2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
SMILESCc1cc(C)c(S(=O)(=O)Cl)cc1C(=O)NC1(C)CCCC1
InChIInChI=1S/C15H20ClNO3S/c1-10-8-11(2)13(21(16,19)20)9-12(10)14(18)17-15(3)6-4-5-7-15/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKeyRIYUUWNCBBAXDG-UHFFFAOYSA-N
MW329.85 g/mol
LogP3.29
Rot. Bonds3

About 2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride

2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65397672) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65397672
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
SMILESCc1cc(C)c(S(=O)(=O)Cl)cc1C(=O)NC1(C)CCCC1
InChIInChI=1S/C15H20ClNO3S/c1-10-8-11(2)13(21(16,19)20)9-12(10)14(18)17-15(3)6-4-5-7-15/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKeyRIYUUWNCBBAXDG-UHFFFAOYSA-N
XLogP3.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride (CID 65397672) is 2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride is Cc1cc(C)c(S(=O)(=O)Cl)cc1C(=O)NC1(C)CCCC1.
What is the InChIKey of 2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is RIYUUWNCBBAXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-10-8-11(2)13(21(16,19)20)9-12(10)14(18)17-15(3)6-4-5-7-15/h8-9H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride?
2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 329.85 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65397672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).