4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide

C12H16ClNO3S — CID 934688

IUPAC4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCC2)ccc1Cl
InChIInChI=1S/C12H16ClNO3S/c1-17-12-8-10(6-7-11(12)13)18(15,16)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3
InChIKeyCIKVKFFQABXJPF-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.57
Rot. Bonds4

About 4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide

4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide (PubChem CID 934688) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide
PubChem CID934688
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCC2)ccc1Cl
InChIInChI=1S/C12H16ClNO3S/c1-17-12-8-10(6-7-11(12)13)18(15,16)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3
InChIKeyCIKVKFFQABXJPF-UHFFFAOYSA-N
XLogP2.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-4-methoxy-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 2963993
1-(4-Chloro-3-methoxyphenyl)sulfonylazepane
CID 566595
1-(4-Chloro-3-ethoxyphenyl)sulfonylpyrrolidine
CID 850043
4-chloro-3-methoxy-N,N-dipropylbenzenesulfonamide
CID 882485
2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide
CID 893896
4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide
CID 934975
4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide
CID 1256631
4-chloro-N-isopropyl-3-methoxybenzenesulfonamide
CID 1257337
4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2978623
3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide
CID 961791
3-chloro-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 974264
5-chloro-N-cyclopentyl-2-ethoxybenzenesulfonamide
CID 2988240

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide (CID 934688) is 4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NC2CCCC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide?
The InChIKey is CIKVKFFQABXJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-17-12-8-10(6-7-11(12)13)18(15,16)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3.
What are the key properties of 4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide?
4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide has a molecular weight of 289.78 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide is sourced from PubChem (CID 934688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).