N-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide

C14H15ClN2O3S — CID 60874543

IUPACN-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C14H15ClN2O3S/c1-2-13(18)10-4-3-5-12(8-10)21(19,20)17-14-7-6-11(15)9-16-14/h3-9,13,18H,2H2,1H3,(H,16,17)
InChIKeyKVRJESRHBOUZSU-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.98
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide

N-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide (PubChem CID 60874543) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide
PubChem CID60874543
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC NameN-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C14H15ClN2O3S/c1-2-13(18)10-4-3-5-12(8-10)21(19,20)17-14-7-6-11(15)9-16-14/h3-9,13,18H,2H2,1H3,(H,16,17)
InChIKeyKVRJESRHBOUZSU-UHFFFAOYSA-N
XLogP2.98
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide
CID 60874171
3,4-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 74229116
3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79360006
N-(5-chloro-2-pyridinyl)-3,4-difluorobenzenesulfonamide
CID 19683191
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 107642763
3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60874194
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 61466425
N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide
CID 174636480
N-(5-chloro-2-pyridinyl)ethanesulfonamide
CID 6486787
3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 71978290
6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319004
4-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106919996

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide (CID 60874543) is N-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide is CCC(O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide?
The InChIKey is KVRJESRHBOUZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-2-13(18)10-4-3-5-12(8-10)21(19,20)17-14-7-6-11(15)9-16-14/h3-9,13,18H,2H2,1H3,(H,16,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide?
N-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-(1-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 60874543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).