4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide

C15H24N2O3S — CID 65080223

IUPAC4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC1CCCC(C)CC1
InChIInChI=1S/C15H24N2O3S/c1-11-4-3-5-12(7-6-11)17-14-10-13(21(16,18)19)8-9-15(14)20-2/h8-12,17H,3-7H2,1-2H3,(H2,16,18,19)
InChIKeyZIMZMCDUMBKARP-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.72
Rot. Bonds4

About 4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide

4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide (PubChem CID 65080223) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide
PubChem CID65080223
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC1CCCC(C)CC1
InChIInChI=1S/C15H24N2O3S/c1-11-4-3-5-12(7-6-11)17-14-10-13(21(16,18)19)8-9-15(14)20-2/h8-12,17H,3-7H2,1-2H3,(H2,16,18,19)
InChIKeyZIMZMCDUMBKARP-UHFFFAOYSA-N
XLogP2.72
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylamino)-4-methoxybenzenesulfonamide
CID 103439129
4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 64501520
3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide
CID 43743918
4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
CID 79942009
4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
CID 82907463
3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide
CID 106871906
2-amino-N-(2-methoxy-5-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 64822574
3-methoxy-4-[(4-methylcycloheptyl)amino]benzonitrile
CID 104848127
4-chloro-3-(cyclohexylamino)benzenesulfonamide
CID 43745858
N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47154229
2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline
CID 2847498
N-(1-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115769101

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide (CID 65080223) is 4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1NC1CCCC(C)CC1.
What is the InChIKey of 4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide?
The InChIKey is ZIMZMCDUMBKARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-4-3-5-12(7-6-11)17-14-10-13(21(16,18)19)8-9-15(14)20-2/h8-12,17H,3-7H2,1-2H3,(H2,16,18,19).
What are the key properties of 4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide?
4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide is sourced from PubChem (CID 65080223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).