3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide

C14H22N2O3S — CID 61069538

IUPAC3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OC2CCCCCC2)c(N)c1
InChIInChI=1S/C14H22N2O3S/c1-16-20(17,18)12-8-9-14(13(15)10-12)19-11-6-4-2-3-5-7-11/h8-11,16H,2-7,15H2,1H3
InChIKeyJAKPNKIXPZXLKQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.28
Rot. Bonds4

About 3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide

3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide (PubChem CID 61069538) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide
PubChem CID61069538
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OC2CCCCCC2)c(N)c1
InChIInChI=1S/C14H22N2O3S/c1-16-20(17,18)12-8-9-14(13(15)10-12)19-11-6-4-2-3-5-7-11/h8-11,16H,2-7,15H2,1H3
InChIKeyJAKPNKIXPZXLKQ-UHFFFAOYSA-N
XLogP2.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.28
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

3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide
CID 70648323
3-amino-N-methyl-4-(oxan-4-yloxy)benzenesulfonamide
CID 61268267
4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide
CID 82903502
4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide
CID 82902643
4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide
CID 82901248
3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
CID 43105855
4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide
CID 82901614
N-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide
CID 155323144
3-amino-4-butoxy-N-methylbenzenesulfonamide
CID 43449328
4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide
CID 82901051
3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide
CID 54936668
3-amino-N-methyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43382810

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide (CID 61069538) is 3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(OC2CCCCCC2)c(N)c1.
What is the InChIKey of 3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide?
The InChIKey is JAKPNKIXPZXLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-16-20(17,18)12-8-9-14(13(15)10-12)19-11-6-4-2-3-5-7-11/h8-11,16H,2-7,15H2,1H3.
What are the key properties of 3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide?
3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 61069538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).