3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide

C14H25N3O2S — CID 61469316

IUPAC3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide
SMILESCC(C)CCCC(C)Nc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C14H25N3O2S/c1-10(2)5-4-6-11(3)17-13-7-12(15)8-14(9-13)20(16,18)19/h7-11,17H,4-6,15H2,1-3H3,(H2,16,18,19)
InChIKeyKPAXFYMTEDHUFQ-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.54
Rot. Bonds7

About 3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide

3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide (PubChem CID 61469316) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide
PubChem CID61469316
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide
SMILESCC(C)CCCC(C)Nc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C14H25N3O2S/c1-10(2)5-4-6-11(3)17-13-7-12(15)8-14(9-13)20(16,18)19/h7-11,17H,4-6,15H2,1-3H3,(H2,16,18,19)
InChIKeyKPAXFYMTEDHUFQ-UHFFFAOYSA-N
XLogP2.54
TPSA98.21 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 ≤ 52.54
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

3-amino-5-(propan-2-ylamino)benzenesulfonamide
CID 60987493
3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 54887840
3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide
CID 63011085
3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide
CID 61476143
3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80740319
3-amino-5-(2,3-dimethylbutylamino)benzenesulfonamide
CID 64568413
4-N-(6-methylheptan-2-yl)benzene-1,4-diamine
CID 61469616
3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide
CID 63995222
3-amino-5-[(2-hydroxy-2,4-dimethylpentyl)amino]benzenesulfonamide
CID 66178938
3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide
CID 55122010
3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide
CID 60986935
2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide
CID 46515920

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide?
The IUPAC name of 3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide (CID 61469316) is 3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide is CC(C)CCCC(C)Nc1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide?
The InChIKey is KPAXFYMTEDHUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-10(2)5-4-6-11(3)17-13-7-12(15)8-14(9-13)20(16,18)19/h7-11,17H,4-6,15H2,1-3H3,(H2,16,18,19).
What are the key properties of 3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide?
3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 61469316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).