2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide

C9H15ClN2O3S2 — CID 61047095

IUPAC2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H15ClN2O3S2/c1-7(2)12(4-3-5-13)17(14,15)8-6-11-9(10)16-8/h6-7,13H,3-5H2,1-2H3
InChIKeyPAPGYJLNDFSJTQ-UHFFFAOYSA-N
MW298.82 g/mol
LogP1.58
Rot. Bonds6

About 2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide

2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide (PubChem CID 61047095) has the molecular formula C9H15ClN2O3S2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
PubChem CID61047095
Molecular FormulaC9H15ClN2O3S2
Molecular Weight298.82 g/mol
Exact Mass298.02
IUPAC Name2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H15ClN2O3S2/c1-7(2)12(4-3-5-13)17(14,15)8-6-11-9(10)16-8/h6-7,13H,3-5H2,1-2H3
InChIKeyPAPGYJLNDFSJTQ-UHFFFAOYSA-N
XLogP1.58
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 61052655
N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide
CID 43455931
5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 54947843
2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61044874
3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol
CID 79764333
2-chloro-N,N-dipropyl-1,3-thiazole-5-sulfonamide
CID 43427518
2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61046479
6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide
CID 64599948
4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 54916437
2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
CID 43571195
2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 61051529
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide
CID 106033856

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide (CID 61047095) is 2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide is CC(C)N(CCCO)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide?
The InChIKey is PAPGYJLNDFSJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O3S2/c1-7(2)12(4-3-5-13)17(14,15)8-6-11-9(10)16-8/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide has a molecular weight of 298.82 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61047095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).