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

C17H21ClN2O3S2 — CID 11689878

IUPAC3-chloro-N-[4-(2-cyclopentyl-2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CC(O)C2CCCC2)cs1
InChIInChI=1S/C17H21ClN2O3S2/c1-11-14(18)7-4-8-16(11)25(22,23)20-17-19-13(10-24-17)9-15(21)12-5-2-3-6-12/h4,7-8,10,12,15,21H,2-3,5-6,9H2,1H3,(H,19,20)
InChIKeyWONHMKOHTMYBFH-UHFFFAOYSA-N
MW400.95 g/mol
LogP4.00
Rot. Bonds6

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

3-chloro-N-[4-(2-cyclopentyl-2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (PubChem CID 11689878) has the molecular formula C17H21ClN2O3S2 and a molecular weight of 400.95 g/mol. Its IUPAC name is 3-chloro-N-[4-(2-cyclopentyl-2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(2-cyclopentyl-2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
PubChem CID11689878
Molecular FormulaC17H21ClN2O3S2
Molecular Weight400.95 g/mol
Exact Mass400.07
IUPAC Name3-chloro-N-[4-(2-cyclopentyl-2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CC(O)C2CCCC2)cs1
InChIInChI=1S/C17H21ClN2O3S2/c1-11-14(18)7-4-8-16(11)25(22,23)20-17-19-13(10-24-17)9-15(21)12-5-2-3-6-12/h4,7-8,10,12,15,21H,2-3,5-6,9H2,1H3,(H,19,20)
InChIKeyWONHMKOHTMYBFH-UHFFFAOYSA-N
XLogP4.00
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-methyl-N-[4-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 87546782
N-[4-(2-bromoethyl)-1,3-thiazol-2-yl]-3-chloro-2-methylbenzenesulfonamide
CID 11292384
3-chloro-N-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87546416
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 10111686
3-chloro-N-[4-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87757253
3-chloro-2-methyl-N-[4-[(4-methyloxan-4-yl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 11560410
3-chloro-N-[4-[3-(2-hydroxyethylamino)propyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87546948
3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]propyl methanesulfonate
CID 87546687
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide
CID 87545717
3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 11537498
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 87545698
3-chloro-N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 11225006

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(2-cyclopentyl-2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-(2-cyclopentyl-2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (CID 11689878) is 3-chloro-N-[4-(2-cyclopentyl-2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(2-cyclopentyl-2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-(2-cyclopentyl-2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CC(O)C2CCCC2)cs1.
What is the InChIKey of 3-chloro-N-[4-(2-cyclopentyl-2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is WONHMKOHTMYBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S2/c1-11-14(18)7-4-8-16(11)25(22,23)20-17-19-13(10-24-17)9-15(21)12-5-2-3-6-12/h4,7-8,10,12,15,21H,2-3,5-6,9H2,1H3,(H,19,20).
What are the key properties of 3-chloro-N-[4-(2-cyclopentyl-2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[4-(2-cyclopentyl-2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 400.95 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(2-cyclopentyl-2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 11689878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).