5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide

C13H19NO3S — CID 113486161

IUPAC5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
SMILESCc1cc(CO)cc(S(=O)(=O)NC2(C)CC2)c1C
InChIInChI=1S/C13H19NO3S/c1-9-6-11(8-15)7-12(10(9)2)18(16,17)14-13(3)4-5-13/h6-7,14-15H,4-5,8H2,1-3H3
InChIKeyRVBYMJMJDOPJDO-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.63
Rot. Bonds4

About 5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide

5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide (PubChem CID 113486161) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
PubChem CID113486161
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
SMILESCc1cc(CO)cc(S(=O)(=O)NC2(C)CC2)c1C
InChIInChI=1S/C13H19NO3S/c1-9-6-11(8-15)7-12(10(9)2)18(16,17)14-13(3)4-5-13/h6-7,14-15H,4-5,8H2,1-3H3
InChIKeyRVBYMJMJDOPJDO-UHFFFAOYSA-N
XLogP1.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide
CID 114363214
3-bromo-5-(hydroxymethyl)-2-methyl-N-(1-methylcyclohexyl)benzenesulfonamide
CID 81480601
4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 106997142
5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide
CID 81487837
2-bromo-5-(hydroxymethyl)-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218435
3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 114380220
3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113486170
2-bromo-5-(methylaminomethyl)-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113486176
4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113485231
4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 107327467
5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide
CID 115690365
2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide
CID 102750244

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide?
The IUPAC name of 5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide (CID 113486161) is 5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide is Cc1cc(CO)cc(S(=O)(=O)NC2(C)CC2)c1C.
What is the InChIKey of 5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide?
The InChIKey is RVBYMJMJDOPJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9-6-11(8-15)7-12(10(9)2)18(16,17)14-13(3)4-5-13/h6-7,14-15H,4-5,8H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide?
5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 113486161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).