3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

C15H24N2O2S — CID 79351747

IUPAC3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2C(C)(C)C2(C)C)cc(N)c1C
InChIInChI=1S/C15H24N2O2S/c1-9-7-11(8-12(16)10(9)2)20(18,19)17-13-14(3,4)15(13,5)6/h7-8,13,17H,16H2,1-6H3
InChIKeyVSQDZQVDGWDTLG-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.60
Rot. Bonds3

About 3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (PubChem CID 79351747) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
PubChem CID79351747
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2C(C)(C)C2(C)C)cc(N)c1C
InChIInChI=1S/C15H24N2O2S/c1-9-7-11(8-12(16)10(9)2)20(18,19)17-13-14(3,4)15(13,5)6/h7-8,13,17H,16H2,1-6H3
InChIKeyVSQDZQVDGWDTLG-UHFFFAOYSA-N
XLogP2.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 114625905
3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 28545115
3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79351598
3-amino-N-(2,2-dimethylcyclopropyl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791780
3-amino-N-(1,1-dioxothian-3-yl)-4,5-dimethylbenzenesulfonamide
CID 63922894
3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357481
3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide
CID 43370956
3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372033
1-(3-amino-4,5-dimethylphenyl)sulfonyl-3-cyclopropylurea
CID 116646439
3-amino-N-(4-chlorophenyl)-4,5-dimethylbenzenesulfonamide
CID 29276916
3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903371
3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43498714

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The IUPAC name of 3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (CID 79351747) is 3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NC2C(C)(C)C2(C)C)cc(N)c1C.
What is the InChIKey of 3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The InChIKey is VSQDZQVDGWDTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-9-7-11(8-12(16)10(9)2)20(18,19)17-13-14(3,4)15(13,5)6/h7-8,13,17H,16H2,1-6H3.
What are the key properties of 3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 79351747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).