3-chloro-N-cyclopropyl-4-methoxybenzenesulfonamide

C10H12ClNO3S — CID 974264

IUPAC3-chloro-N-cyclopropyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1Cl
InChIInChI=1S/C10H12ClNO3S/c1-15-10-5-4-8(6-9(10)11)16(13,14)12-7-2-3-7/h4-7,12H,2-3H2,1H3
InChIKeyNGJTUCRMWYAFEM-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.79
Rot. Bonds4

About 3-chloro-N-cyclopropyl-4-methoxybenzenesulfonamide

3-chloro-N-cyclopropyl-4-methoxybenzenesulfonamide (PubChem CID 974264) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-4-methoxybenzenesulfonamide
PubChem CID974264
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name3-chloro-N-cyclopropyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1Cl
InChIInChI=1S/C10H12ClNO3S/c1-15-10-5-4-8(6-9(10)11)16(13,14)12-7-2-3-7/h4-7,12H,2-3H2,1H3
InChIKeyNGJTUCRMWYAFEM-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.79
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
2,3-dichloro-N-cyclopentyl-4-methoxybenzenesulfonamide
CID 893896
4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 934688
4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide
CID 934975
4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide
CID 1256631
4-chloro-N-isopropyl-3-methoxybenzenesulfonamide
CID 1257337
2,3-dichloro-N-(3-ethoxypropyl)-4-methoxybenzenesulfonamide
CID 1729052
2,3-dichloro-4-methoxy-N-propylbenzenesulfonamide
CID 1815765
N-butyl-2,3-dichloro-4-methoxybenzenesulfonamide
CID 2198487
N-[2-(tert-butylthio)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 2228276
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 2980579
3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide
CID 961791

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-cyclopropyl-4-methoxybenzenesulfonamide (CID 974264) is 3-chloro-N-cyclopropyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CC2)cc1Cl.
What is the InChIKey of 3-chloro-N-cyclopropyl-4-methoxybenzenesulfonamide?
The InChIKey is NGJTUCRMWYAFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-15-10-5-4-8(6-9(10)11)16(13,14)12-7-2-3-7/h4-7,12H,2-3H2,1H3.
What are the key properties of 3-chloro-N-cyclopropyl-4-methoxybenzenesulfonamide?
3-chloro-N-cyclopropyl-4-methoxybenzenesulfonamide has a molecular weight of 261.73 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 974264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).