4-chloro-3-[(2-methoxycyclopentyl)carbamoyl]benzenesulfonyl chloride

C13H15Cl2NO4S — CID 65396044

IUPAC4-chloro-3-[(2-methoxycyclopentyl)carbamoyl]benzenesulfonyl chloride
SMILESCOC1CCCC1NC(=O)c1cc(S(=O)(=O)Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NO4S/c1-20-12-4-2-3-11(12)16-13(17)9-7-8(21(15,18)19)5-6-10(9)14/h5-7,11-12H,2-4H2,1H3,(H,16,17)
InChIKeyHUENJVMMXQYTJW-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.56
Rot. Bonds4

About 4-chloro-3-[(2-methoxycyclopentyl)carbamoyl]benzenesulfonyl chloride

4-chloro-3-[(2-methoxycyclopentyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65396044) has the molecular formula C13H15Cl2NO4S and a molecular weight of 352.24 g/mol. Its IUPAC name is 4-chloro-3-[(2-methoxycyclopentyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-[(2-methoxycyclopentyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65396044
Molecular FormulaC13H15Cl2NO4S
Molecular Weight352.24 g/mol
Exact Mass351.01
IUPAC Name4-chloro-3-[(2-methoxycyclopentyl)carbamoyl]benzenesulfonyl chloride
SMILESCOC1CCCC1NC(=O)c1cc(S(=O)(=O)Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NO4S/c1-20-12-4-2-3-11(12)16-13(17)9-7-8(21(15,18)19)5-6-10(9)14/h5-7,11-12H,2-4H2,1H3,(H,16,17)
InChIKeyHUENJVMMXQYTJW-UHFFFAOYSA-N
XLogP2.56
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-methoxycyclopentyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 4-chloro-3-[(2-methoxycyclopentyl)carbamoyl]benzenesulfonyl chloride (CID 65396044) is 4-chloro-3-[(2-methoxycyclopentyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-3-[(2-methoxycyclopentyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 4-chloro-3-[(2-methoxycyclopentyl)carbamoyl]benzenesulfonyl chloride is COC1CCCC1NC(=O)c1cc(S(=O)(=O)Cl)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(2-methoxycyclopentyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is HUENJVMMXQYTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4S/c1-20-12-4-2-3-11(12)16-13(17)9-7-8(21(15,18)19)5-6-10(9)14/h5-7,11-12H,2-4H2,1H3,(H,16,17).
What are the key properties of 4-chloro-3-[(2-methoxycyclopentyl)carbamoyl]benzenesulfonyl chloride?
4-chloro-3-[(2-methoxycyclopentyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 352.24 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-methoxycyclopentyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65396044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).