3-amino-N-tert-butyl-4-(cyclohexylamino)benzenesulfonamide

C16H27N3O2S — CID 121334989

IUPAC3-amino-N-tert-butyl-4-(cyclohexylamino)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC2CCCCC2)c(N)c1
InChIInChI=1S/C16H27N3O2S/c1-16(2,3)19-22(20,21)13-9-10-15(14(17)11-13)18-12-7-5-4-6-8-12/h9-12,18-19H,4-8,17H2,1-3H3
InChIKeyFXPWIKSRLHDORI-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.09
Rot. Bonds4

About 3-amino-N-tert-butyl-4-(cyclohexylamino)benzenesulfonamide

3-amino-N-tert-butyl-4-(cyclohexylamino)benzenesulfonamide (PubChem CID 121334989) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 3-amino-N-tert-butyl-4-(cyclohexylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-tert-butyl-4-(cyclohexylamino)benzenesulfonamide
PubChem CID121334989
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name3-amino-N-tert-butyl-4-(cyclohexylamino)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC2CCCCC2)c(N)c1
InChIInChI=1S/C16H27N3O2S/c1-16(2,3)19-22(20,21)13-9-10-15(14(17)11-13)18-12-7-5-4-6-8-12/h9-12,18-19H,4-8,17H2,1-3H3
InChIKeyFXPWIKSRLHDORI-UHFFFAOYSA-N
XLogP3.09
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-tert-butyl-4-(cyclohexylamino)benzenesulfonamide?
The IUPAC name of 3-amino-N-tert-butyl-4-(cyclohexylamino)benzenesulfonamide (CID 121334989) is 3-amino-N-tert-butyl-4-(cyclohexylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-tert-butyl-4-(cyclohexylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-N-tert-butyl-4-(cyclohexylamino)benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(NC2CCCCC2)c(N)c1.
What is the InChIKey of 3-amino-N-tert-butyl-4-(cyclohexylamino)benzenesulfonamide?
The InChIKey is FXPWIKSRLHDORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-16(2,3)19-22(20,21)13-9-10-15(14(17)11-13)18-12-7-5-4-6-8-12/h9-12,18-19H,4-8,17H2,1-3H3.
What are the key properties of 3-amino-N-tert-butyl-4-(cyclohexylamino)benzenesulfonamide?
3-amino-N-tert-butyl-4-(cyclohexylamino)benzenesulfonamide has a molecular weight of 325.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-tert-butyl-4-(cyclohexylamino)benzenesulfonamide is sourced from PubChem (CID 121334989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).