4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide

C15H27N3O2S — CID 82899358

IUPAC4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide
SMILESCCCCCN(c1cc(S(=O)(=O)NC)ccc1N)C(C)C
InChIInChI=1S/C15H27N3O2S/c1-5-6-7-10-18(12(2)3)15-11-13(8-9-14(15)16)21(19,20)17-4/h8-9,11-12,17H,5-7,10,16H2,1-4H3
InChIKeyGDCYSUBONSPCMV-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.58
Rot. Bonds8

About 4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide

4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide (PubChem CID 82899358) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide
PubChem CID82899358
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide
SMILESCCCCCN(c1cc(S(=O)(=O)NC)ccc1N)C(C)C
InChIInChI=1S/C15H27N3O2S/c1-5-6-7-10-18(12(2)3)15-11-13(8-9-14(15)16)21(19,20)17-4/h8-9,11-12,17H,5-7,10,16H2,1-4H3
InChIKeyGDCYSUBONSPCMV-UHFFFAOYSA-N
XLogP2.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide
CID 82898904
4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine
CID 115468800
4-amino-3-[butan-2-yl(butyl)amino]benzenesulfonamide
CID 82907017
4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide
CID 82899686
4-amino-3-[5-hydroxypentyl(methyl)amino]-N-methylbenzenesulfonamide
CID 107197912
4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 82898644
4-amino-3-[2-cyanopropyl(ethyl)amino]-N-methylbenzenesulfonamide
CID 82899124
4-amino-3-[(2S)-butan-2-yl]-N-methylbenzenesulfonamide
CID 163446089
4-amino-3-(butan-2-ylamino)-N-methylbenzenesulfonamide
CID 82899814
2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide
CID 82899245
2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide
CID 82899371
3-amino-4-butoxy-N-methylbenzenesulfonamide
CID 43449328

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide (CID 82899358) is 4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide is CCCCCN(c1cc(S(=O)(=O)NC)ccc1N)C(C)C.
What is the InChIKey of 4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide?
The InChIKey is GDCYSUBONSPCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-5-6-7-10-18(12(2)3)15-11-13(8-9-14(15)16)21(19,20)17-4/h8-9,11-12,17H,5-7,10,16H2,1-4H3.
What are the key properties of 4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide?
4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 82899358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).