4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide

C16H20N2O2S — CID 43332053

IUPAC4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C16H20N2O2S/c1-12(2)15-6-4-5-7-16(15)18-21(19,20)14-10-8-13(17-3)9-11-14/h4-12,17-18H,1-3H3
InChIKeyXRXHHVDJUDKJFO-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.65
Rot. Bonds5

About 4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide

4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 43332053) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide
PubChem CID43332053
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C16H20N2O2S/c1-12(2)15-6-4-5-7-16(15)18-21(19,20)14-10-8-13(17-3)9-11-14/h4-12,17-18H,1-3H3
InChIKeyXRXHHVDJUDKJFO-UHFFFAOYSA-N
XLogP3.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 29045454
6-amino-N-(2-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 62149213
N-(2-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 110865788
3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 29035063
N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416706
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 110419289
(2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid
CID 141071550
N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
CID 4678520
4-(methylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 62185459
5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide
CID 107813315
4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61061675
N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 3862587

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide (CID 43332053) is 4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide is CNc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1.
What is the InChIKey of 4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is XRXHHVDJUDKJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12(2)15-6-4-5-7-16(15)18-21(19,20)14-10-8-13(17-3)9-11-14/h4-12,17-18H,1-3H3.
What are the key properties of 4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide?
4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 43332053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).