4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide

C13H22N2O2S — CID 165486376

IUPAC4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)N(C(C)C)C(C)C
InChIInChI=1S/C13H22N2O2S/c1-9(2)15(10(3)4)18(16,17)13-7-6-12(14)8-11(13)5/h6-10H,14H2,1-5H3
InChIKeyTTXHKCXRBAHORM-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.38
Rot. Bonds4

About 4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide

4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide (PubChem CID 165486376) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide
PubChem CID165486376
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)N(C(C)C)C(C)C
InChIInChI=1S/C13H22N2O2S/c1-9(2)15(10(3)4)18(16,17)13-7-6-12(14)8-11(13)5/h6-10H,14H2,1-5H3
InChIKeyTTXHKCXRBAHORM-UHFFFAOYSA-N
XLogP2.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3,5-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
CID 62002768
4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053045
4-amino-N,N-dibutyl-2-methylbenzenesulfonamide
CID 43258806
4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 43258909
4-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001466
4-amino-N-butyl-N,2-dimethylbenzenesulfonamide
CID 43258018
4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
CID 62002580
4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656554
4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426919
2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374780
4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 61109788
4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81053199

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide (CID 165486376) is 4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)N(C(C)C)C(C)C.
What is the InChIKey of 4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide?
The InChIKey is TTXHKCXRBAHORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9(2)15(10(3)4)18(16,17)13-7-6-12(14)8-11(13)5/h6-10H,14H2,1-5H3.
What are the key properties of 4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide?
4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 165486376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).