4-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

C13H13ClN2O2S2 — CID 110715910

IUPAC4-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1nccs1)C1CC1
InChIInChI=1S/C13H13ClN2O2S2/c14-10-1-5-12(6-2-10)20(17,18)16(11-3-4-11)9-13-15-7-8-19-13/h1-2,5-8,11H,3-4,9H2
InChIKeySNVMJPNKCXMVIX-UHFFFAOYSA-N
MW328.85 g/mol
LogP3.15
Rot. Bonds5

About 4-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

4-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (PubChem CID 110715910) has the molecular formula C13H13ClN2O2S2 and a molecular weight of 328.85 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
PubChem CID110715910
Molecular FormulaC13H13ClN2O2S2
Molecular Weight328.85 g/mol
Exact Mass328.01
IUPAC Name4-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1nccs1)C1CC1
InChIInChI=1S/C13H13ClN2O2S2/c14-10-1-5-12(6-2-10)20(17,18)16(11-3-4-11)9-13-15-7-8-19-13/h1-2,5-8,11H,3-4,9H2
InChIKeySNVMJPNKCXMVIX-UHFFFAOYSA-N
XLogP3.15
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-N-thiazol-2-yl-benzenesulfonamide
CID 306826
N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 23020684
2-chloro-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide
CID 97835516
4-chloro-N-[1-(1,3-thiazol-2-yl)cyclopentyl]benzenesulfonamide
CID 99326118
3-chloro-N-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 129398496
4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 47076190
2-chloro-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 53556583
2-chloro-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide
CID 75508924
2-chloro-N-ethyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 75523877
2,4-dichloro-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 86819092
2-chloro-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-6-fluorobenzenesulfonamide
CID 97835515
4-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715749

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (CID 110715910) is 4-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(Cc1nccs1)C1CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is SNVMJPNKCXMVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S2/c14-10-1-5-12(6-2-10)20(17,18)16(11-3-4-11)9-13-15-7-8-19-13/h1-2,5-8,11H,3-4,9H2.
What are the key properties of 4-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
4-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 328.85 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110715910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).