2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide

C16H24N4O3S — CID 169326125

IUPAC2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC(O)CN(C1CCC(C)CC1)S(=O)(=O)c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C16H24N4O3S/c1-12-7-9-14(10-8-12)20(11-13(2)21)24(22,23)16-6-4-3-5-15(16)18-19-17/h3-6,12-14,21H,7-11H2,1-2H3
InChIKeySHTUSFYHXHFPDV-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.58
Rot. Bonds6

About 2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide

2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide (PubChem CID 169326125) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
PubChem CID169326125
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC(O)CN(C1CCC(C)CC1)S(=O)(=O)c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C16H24N4O3S/c1-12-7-9-14(10-8-12)20(11-13(2)21)24(22,23)16-6-4-3-5-15(16)18-19-17/h3-6,12-14,21H,7-11H2,1-2H3
InChIKeySHTUSFYHXHFPDV-UHFFFAOYSA-N
XLogP3.58
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-[2-[2-hydroxypropyl-(4-methylcyclohexyl)sulfamoyl]phenyl]ethanimidamide
CID 169368471
2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 169334975
N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 136517168
2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 169377072
4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid
CID 154782398
N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61045049
2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43264373
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577535
2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 60751139
2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
CID 54945752
N-cyclopropyl-3-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 79014594
3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide
CID 76911739

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide (CID 169326125) is 2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide is CC(O)CN(C1CCC(C)CC1)S(=O)(=O)c1ccccc1N=[N+]=[N-].
What is the InChIKey of 2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
The InChIKey is SHTUSFYHXHFPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-12-7-9-14(10-8-12)20(11-13(2)21)24(22,23)16-6-4-3-5-15(16)18-19-17/h3-6,12-14,21H,7-11H2,1-2H3.
What are the key properties of 2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 169326125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).