4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

C10H15ClN2O3S — CID 81433365

IUPAC4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCC(C)N(C)S(=O)(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C10H15ClN2O3S/c1-7(2)13(3)17(15,16)12-9-5-4-8(11)6-10(9)14/h4-7,12,14H,1-3H3
InChIKeyFKGIDHGPQBKWMV-UHFFFAOYSA-N
MW278.76 g/mol
LogP2.04
Rot. Bonds4

About 4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (PubChem CID 81433365) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.

Molecular Properties

Compound Name4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
PubChem CID81433365
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC Name4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCC(C)N(C)S(=O)(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C10H15ClN2O3S/c1-7(2)13(3)17(15,16)12-9-5-4-8(11)6-10(9)14/h4-7,12,14H,1-3H3
InChIKeyFKGIDHGPQBKWMV-UHFFFAOYSA-N
XLogP2.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 52.04
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-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide
CID 81433817
N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide
CID 82842049
1-(3-aminoprop-1-ynyl)-4-chloro-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 81280281
N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
CID 81434097
5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 155555207
N-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide
CID 81422193
N-(4-chloro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 81433189
5-chloro-N-(4-chloro-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81434366
2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947886
3-[3-fluoro-4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]prop-2-enoic acid
CID 76906743
2,5-dichloro-N-(4-chloro-2-hydroxyphenyl)thiophene-3-sulfonamide
CID 81433543
2,4-difluoro-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid
CID 61455459

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The IUPAC name of 4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (CID 81433365) is 4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.
What is the SMILES notation for 4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The canonical SMILES for 4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is CC(C)N(C)S(=O)(=O)Nc1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The InChIKey is FKGIDHGPQBKWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S/c1-7(2)13(3)17(15,16)12-9-5-4-8(11)6-10(9)14/h4-7,12,14H,1-3H3.
What are the key properties of 4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene has a molecular weight of 278.76 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is sourced from PubChem (CID 81433365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).