3-amino-N-methyl-4-(6-methylheptan-2-ylamino)benzenesulfonamide

C15H27N3O2S — CID 61469173

IUPAC3-amino-N-methyl-4-(6-methylheptan-2-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)CCCC(C)C)c(N)c1
InChIInChI=1S/C15H27N3O2S/c1-11(2)6-5-7-12(3)18-15-9-8-13(10-14(15)16)21(19,20)17-4/h8-12,17-18H,5-7,16H2,1-4H3
InChIKeyQFODBJYYLKBMSB-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.80
Rot. Bonds8

About 3-amino-N-methyl-4-(6-methylheptan-2-ylamino)benzenesulfonamide

3-amino-N-methyl-4-(6-methylheptan-2-ylamino)benzenesulfonamide (PubChem CID 61469173) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(6-methylheptan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(6-methylheptan-2-ylamino)benzenesulfonamide
PubChem CID61469173
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name3-amino-N-methyl-4-(6-methylheptan-2-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)CCCC(C)C)c(N)c1
InChIInChI=1S/C15H27N3O2S/c1-11(2)6-5-7-12(3)18-15-9-8-13(10-14(15)16)21(19,20)17-4/h8-12,17-18H,5-7,16H2,1-4H3
InChIKeyQFODBJYYLKBMSB-UHFFFAOYSA-N
XLogP2.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.80
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-4-(1,3-dihydroxypropan-2-ylamino)-N-methylbenzenesulfonamide
CID 65310174
4-amino-3-(butan-2-ylamino)-N-methylbenzenesulfonamide
CID 82899814
3-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide
CID 106154783
4-methylsulfonyl-1-N-(1-methylsulfonylpropan-2-yl)benzene-1,2-diamine
CID 64630594
4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide
CID 82899686
3-amino-4-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43372059
4-(hexan-2-ylamino)-N-methylbenzenesulfonamide
CID 43790312
3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide
CID 43449158
3-amino-N-methyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 54935258
3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
CID 79352658
4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide
CID 82900349
4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82901521

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(6-methylheptan-2-ylamino)benzenesulfonamide?
The IUPAC name of 3-amino-N-methyl-4-(6-methylheptan-2-ylamino)benzenesulfonamide (CID 61469173) is 3-amino-N-methyl-4-(6-methylheptan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-methyl-4-(6-methylheptan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-N-methyl-4-(6-methylheptan-2-ylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(NC(C)CCCC(C)C)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-(6-methylheptan-2-ylamino)benzenesulfonamide?
The InChIKey is QFODBJYYLKBMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-11(2)6-5-7-12(3)18-15-9-8-13(10-14(15)16)21(19,20)17-4/h8-12,17-18H,5-7,16H2,1-4H3.
What are the key properties of 3-amino-N-methyl-4-(6-methylheptan-2-ylamino)benzenesulfonamide?
3-amino-N-methyl-4-(6-methylheptan-2-ylamino)benzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(6-methylheptan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 61469173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).