N-(2-chloro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide

C11H16ClNO3S — CID 114250580

IUPACN-(2-chloro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide
SMILESCc1cccc(NS(=O)(=O)CCCCO)c1Cl
InChIInChI=1S/C11H16ClNO3S/c1-9-5-4-6-10(11(9)12)13-17(15,16)8-3-2-7-14/h4-6,13-14H,2-3,7-8H2,1H3
InChIKeyDGLIUNGXCKMEDT-UHFFFAOYSA-N
MW277.77 g/mol
LogP2.16
Rot. Bonds6

About N-(2-chloro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide

N-(2-chloro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide (PubChem CID 114250580) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is N-(2-chloro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide
PubChem CID114250580
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC NameN-(2-chloro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide
SMILESCc1cccc(NS(=O)(=O)CCCCO)c1Cl
InChIInChI=1S/C11H16ClNO3S/c1-9-5-4-6-10(11(9)12)13-17(15,16)8-3-2-7-14/h4-6,13-14H,2-3,7-8H2,1H3
InChIKeyDGLIUNGXCKMEDT-UHFFFAOYSA-N
XLogP2.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106030648
4-[(2-methylphenyl)sulfamoyl]butanoic acid
CID 28513713
N-(3-chloro-2-methylphenyl)butane-1-sulfonamide
CID 22774000
N-(4-bromo-3,5-dimethylphenyl)-4-hydroxybutane-1-sulfonamide
CID 114135739
2-chloro-N-(2,3-dichlorophenyl)ethanesulfonamide
CID 103609336
N-(2-hydroxyphenyl)dodecane-1-sulfonamide
CID 3509562
3-(3-chloropropylsulfonylamino)-2-methylbenzoic acid
CID 54877288
3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide
CID 94685063
1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide
CID 63665725
1-(4-chlorophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide
CID 18891284
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739
N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide
CID 173327955

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide?
The IUPAC name of N-(2-chloro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide (CID 114250580) is N-(2-chloro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide?
The canonical SMILES for N-(2-chloro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide is Cc1cccc(NS(=O)(=O)CCCCO)c1Cl.
What is the InChIKey of N-(2-chloro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide?
The InChIKey is DGLIUNGXCKMEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-9-5-4-6-10(11(9)12)13-17(15,16)8-3-2-7-14/h4-6,13-14H,2-3,7-8H2,1H3.
What are the key properties of N-(2-chloro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide?
N-(2-chloro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide has a molecular weight of 277.77 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide is sourced from PubChem (CID 114250580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).