N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide

C10H14ClNO3S — CID 81434097

IUPACN-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C10H14ClNO3S/c1-2-3-6-16(14,15)12-9-5-4-8(11)7-10(9)13/h4-5,7,12-13H,2-3,6H2,1H3
InChIKeySBKIWDHGGKMJRR-UHFFFAOYSA-N
MW263.75 g/mol
LogP2.59
Rot. Bonds5

About N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide

N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide (PubChem CID 81434097) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
PubChem CID81434097
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC NameN-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C10H14ClNO3S/c1-2-3-6-16(14,15)12-9-5-4-8(11)7-10(9)13/h4-5,7,12-13H,2-3,6H2,1H3
InChIKeySBKIWDHGGKMJRR-UHFFFAOYSA-N
XLogP2.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide
CID 5122438
N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
CID 6466028
N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide
CID 43114648
N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide
CID 81433817
N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide
CID 64788344
N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide
CID 82842049
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735
N-(2-hydroxyphenyl)dodecane-1-sulfonamide
CID 3509562
N-(3-chloro-2-methylphenyl)butane-1-sulfonamide
CID 22774000
5-(4-chlorophenyl)-2-(octylsulfonylamino)benzoic acid
CID 44608762
N-(4-chloro-2-pyridinyl)butane-1-sulfonamide
CID 104821756

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide?
The IUPAC name of N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide (CID 81434097) is N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide?
The canonical SMILES for N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Cl)cc1O.
What is the InChIKey of N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide?
The InChIKey is SBKIWDHGGKMJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-2-3-6-16(14,15)12-9-5-4-8(11)7-10(9)13/h4-5,7,12-13H,2-3,6H2,1H3.
What are the key properties of N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide?
N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide has a molecular weight of 263.75 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide is sourced from PubChem (CID 81434097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).