N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide

C7H9ClN2O3S — CID 22719137

IUPACN-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Cl)c(N)cc1O
InChIInChI=1S/C7H9ClN2O3S/c1-14(12,13)10-6-2-4(8)5(9)3-7(6)11/h2-3,10-11H,9H2,1H3
InChIKeyJCMZAHHJULRNNH-UHFFFAOYSA-N
MW236.68 g/mol
LogP1.00
Rot. Bonds2

About N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide

N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide (PubChem CID 22719137) has the molecular formula C7H9ClN2O3S and a molecular weight of 236.68 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide
PubChem CID22719137
Molecular FormulaC7H9ClN2O3S
Molecular Weight236.68 g/mol
Exact Mass236.00
IUPAC NameN-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Cl)c(N)cc1O
InChIInChI=1S/C7H9ClN2O3S/c1-14(12,13)10-6-2-4(8)5(9)3-7(6)11/h2-3,10-11H,9H2,1H3
InChIKeyJCMZAHHJULRNNH-UHFFFAOYSA-N
XLogP1.00
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene
CID 114958746
N-(4,5-dichloro-2-methylphenyl)methanesulfonamide
CID 22894122
N-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide
CID 58565693
N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide
CID 57028316
[5-hydroxy-4-(methanesulfonamido)-2-methylphenyl]methanesulfonamide
CID 123527984
N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 849290
N-(4-hydrazinyl-2-hydroxyphenyl)methanesulfonamide
CID 142914316
N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide
CID 22719099
N-(2-amino-4,6-dichlorophenyl)methanesulfonamide
CID 16774025
N-(4-amino-2,5-dimethylphenyl)methanesulfonamide
CID 103144685
N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide
CID 82779073
3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide
CID 43134231

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide?
The IUPAC name of N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide (CID 22719137) is N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide?
The canonical SMILES for N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide is CS(=O)(=O)Nc1cc(Cl)c(N)cc1O.
What is the InChIKey of N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide?
The InChIKey is JCMZAHHJULRNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3S/c1-14(12,13)10-6-2-4(8)5(9)3-7(6)11/h2-3,10-11H,9H2,1H3.
What are the key properties of N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide?
N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide has a molecular weight of 236.68 g/mol, XLogP of 1.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide is sourced from PubChem (CID 22719137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).