4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide

C14H25N3O2S — CID 106328090

IUPAC4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NC(C)(CC)CC)c1
InChIInChI=1S/C14H25N3O2S/c1-5-14(4,6-2)17-13-10-11(8-9-12(13)15)20(18,19)16-7-3/h8-10,16-17H,5-7,15H2,1-4H3
InChIKeyUIBDQSGOYHBSRN-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.56
Rot. Bonds7

About 4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide

4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide (PubChem CID 106328090) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
PubChem CID106328090
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NC(C)(CC)CC)c1
InChIInChI=1S/C14H25N3O2S/c1-5-14(4,6-2)17-13-10-11(8-9-12(13)15)20(18,19)16-7-3/h8-10,16-17H,5-7,15H2,1-4H3
InChIKeyUIBDQSGOYHBSRN-UHFFFAOYSA-N
XLogP2.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 114174106
4-amino-3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-ethylbenzenesulfonamide
CID 107845638
4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide
CID 82901311
4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 82900023
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide
CID 82899334
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 82898095
4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82900359
4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide
CID 82902466
4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 82899224
4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide
CID 82900349
4-amino-3-[(3-bromothiophen-2-yl)methylamino]-N-ethylbenzenesulfonamide
CID 82902613

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide (CID 106328090) is 4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(NC(C)(CC)CC)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide?
The InChIKey is UIBDQSGOYHBSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-14(4,6-2)17-13-10-11(8-9-12(13)15)20(18,19)16-7-3/h8-10,16-17H,5-7,15H2,1-4H3.
What are the key properties of 4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide?
4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide is sourced from PubChem (CID 106328090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).