3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide

C13H13ClN2O3S2 — CID 11537498

IUPAC3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(C2(O)CC2)cs1
InChIInChI=1S/C13H13ClN2O3S2/c1-8-9(14)3-2-4-10(8)21(18,19)16-12-15-11(7-20-12)13(17)5-6-13/h2-4,7,17H,5-6H2,1H3,(H,15,16)
InChIKeyOXVMERNZHQPPHW-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.89
Rot. Bonds4

About 3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide

3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (PubChem CID 11537498) has the molecular formula C13H13ClN2O3S2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
PubChem CID11537498
Molecular FormulaC13H13ClN2O3S2
Molecular Weight344.85 g/mol
Exact Mass344.01
IUPAC Name3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(C2(O)CC2)cs1
InChIInChI=1S/C13H13ClN2O3S2/c1-8-9(14)3-2-4-10(8)21(18,19)16-12-15-11(7-20-12)13(17)5-6-13/h2-4,7,17H,5-6H2,1H3,(H,15,16)
InChIKeyOXVMERNZHQPPHW-UHFFFAOYSA-N
XLogP2.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Chloro-n-(4-{2-[(2-hydroxyethyl)amino]ethyl}-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide
CID 11280314
3-chloro-N-[4-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 11553764
3-chloro-N-[4-[(4-fluorophenyl)-hydroxymethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 11582346
3-chloro-N-[4-[(3-fluorophenyl)-hydroxymethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 11603994
3-chloro-N-[4-[(3,4-difluorophenyl)-hydroxymethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 11690531
3-chloro-N-[4-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 11710994
3-chloro-N-[4-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87499545
3-Chloro-2-methyl-n-[4-(2-{methyl[(trifluoromethyl)sulfonyl]amino}ethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 87546419
2-chloro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)benzenesulfonamide
CID 87756295
3-chloro-N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 87756313
2-chloro-4,5-difluoro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 87756492
2-chloro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 87756545

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (CID 11537498) is 3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(C2(O)CC2)cs1.
What is the InChIKey of 3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is OXVMERNZHQPPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S2/c1-8-9(14)3-2-4-10(8)21(18,19)16-12-15-11(7-20-12)13(17)5-6-13/h2-4,7,17H,5-6H2,1H3,(H,15,16).
What are the key properties of 3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 344.85 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 11537498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).