5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide

C10H14ClNO3S — CID 43502330

IUPAC5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC(C)O
InChIInChI=1S/C10H14ClNO3S/c1-7-3-4-9(11)5-10(7)16(14,15)12-6-8(2)13/h3-5,8,12-13H,6H2,1-2H3
InChIKeyFWDMDGZOEIIUIT-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.31
Rot. Bonds4

About 5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide

5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide (PubChem CID 43502330) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
PubChem CID43502330
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC(C)O
InChIInChI=1S/C10H14ClNO3S/c1-7-3-4-9(11)5-10(7)16(14,15)12-6-8(2)13/h3-5,8,12-13H,6H2,1-2H3
InChIKeyFWDMDGZOEIIUIT-UHFFFAOYSA-N
XLogP1.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825383
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878708
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 83029794
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 55100686
4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide
CID 3465021
N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide
CID 43845575
5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide
CID 90534838
4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
CID 64913110
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43245307
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide (CID 43502330) is 5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCC(C)O.
What is the InChIKey of 5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide?
The InChIKey is FWDMDGZOEIIUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-7-3-4-9(11)5-10(7)16(14,15)12-6-8(2)13/h3-5,8,12-13H,6H2,1-2H3.
What are the key properties of 5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide?
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide has a molecular weight of 263.75 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 43502330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).