4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide

C14H21NO3S — CID 99778846

IUPAC4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]2CO)cc1
InChIInChI=1S/C14H21NO3S/c1-14(2,3)11-4-6-12(7-5-11)19(17,18)15-13-8-10(13)9-16/h4-7,10,13,15-16H,8-9H2,1-3H3/t10-,13+/m0/s1
InChIKeyLFPQZOQUQBTAKR-GXFFZTMASA-N
MW283.39 g/mol
LogP1.64
Rot. Bonds4

About 4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide

4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide (PubChem CID 99778846) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide
PubChem CID99778846
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]2CO)cc1
InChIInChI=1S/C14H21NO3S/c1-14(2,3)11-4-6-12(7-5-11)19(17,18)15-13-8-10(13)9-16/h4-7,10,13,15-16H,8-9H2,1-3H3/t10-,13+/m0/s1
InChIKeyLFPQZOQUQBTAKR-GXFFZTMASA-N
XLogP1.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide (CID 99778846) is 4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]2CO)cc1.
What is the InChIKey of 4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The InChIKey is LFPQZOQUQBTAKR-GXFFZTMASA-N. The full InChI is InChI=1S/C14H21NO3S/c1-14(2,3)11-4-6-12(7-5-11)19(17,18)15-13-8-10(13)9-16/h4-7,10,13,15-16H,8-9H2,1-3H3/t10-,13+/m0/s1.
What are the key properties of 4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 99778846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).