4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide

C15H24N2O3S — CID 81440565

IUPAC4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC(C)C2CCCCC2)ccc1N
InChIInChI=1S/C15H24N2O3S/c1-11(12-6-4-3-5-7-12)17-21(18,19)13-8-9-14(16)15(10-13)20-2/h8-12,17H,3-7,16H2,1-2H3
InChIKeyANABNGSCHVHNMP-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.52
Rot. Bonds5

About 4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide

4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide (PubChem CID 81440565) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide
PubChem CID81440565
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC(C)C2CCCCC2)ccc1N
InChIInChI=1S/C15H24N2O3S/c1-11(12-6-4-3-5-7-12)17-21(18,19)13-8-9-14(16)15(10-13)20-2/h8-12,17H,3-7,16H2,1-2H3
InChIKeyANABNGSCHVHNMP-UHFFFAOYSA-N
XLogP2.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438751
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
3-amino-N-(1-cyclohexylethyl)benzenesulfonamide
CID 62406253
3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide
CID 106612198
4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 81437934
methyl 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 81440799
4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 43533120
4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 81438617
4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide
CID 106919354
N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120710803
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide (CID 81440565) is 4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NC(C)C2CCCCC2)ccc1N.
What is the InChIKey of 4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide?
The InChIKey is ANABNGSCHVHNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(12-6-4-3-5-7-12)17-21(18,19)13-8-9-14(16)15(10-13)20-2/h8-12,17H,3-7,16H2,1-2H3.
What are the key properties of 4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide?
4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81440565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).