N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide

C14H24N2O2S — CID 103520904

IUPACN-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)CCC(C)(C)C)c(C)cc1N
InChIInChI=1S/C14H24N2O2S/c1-10-9-13(11(2)8-12(10)15)16-19(17,18)7-6-14(3,4)5/h8-9,16H,6-7,15H2,1-5H3
InChIKeyRPBISLGPWKQHLI-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.06
Rot. Bonds4

About N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide

N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103520904) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103520904
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)CCC(C)(C)C)c(C)cc1N
InChIInChI=1S/C14H24N2O2S/c1-10-9-13(11(2)8-12(10)15)16-19(17,18)7-6-14(3,4)5/h8-9,16H,6-7,15H2,1-5H3
InChIKeyRPBISLGPWKQHLI-UHFFFAOYSA-N
XLogP3.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.06
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

methyl 3-[(4-amino-2,5-dimethylphenyl)sulfamoyl]propanoate
CID 103144701
N-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520845
N-(4-amino-2,5-dimethylphenyl)methanesulfonamide
CID 103144685
1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 103144711
N-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520816
N-(5-amino-2,4-dimethylphenyl)-2-ethoxyethanesulfonamide
CID 104757246
1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene
CID 103144698
N-(4-amino-2,5-dimethylphenyl)-4,4-dimethylpentanamide
CID 114212732
N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 107640853
N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide
CID 113438985
N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide
CID 55173913
N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide
CID 827506

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide (CID 103520904) is N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide is Cc1cc(NS(=O)(=O)CCC(C)(C)C)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is RPBISLGPWKQHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-10-9-13(11(2)8-12(10)15)16-19(17,18)7-6-14(3,4)5/h8-9,16H,6-7,15H2,1-5H3.
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide?
N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 284.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103520904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).