N-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide

C15H26N2O2S — CID 63945935

IUPACN-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide
SMILESCCCCC(CC)Nc1ccc(NS(=O)(=O)CC)cc1
InChIInChI=1S/C15H26N2O2S/c1-4-7-8-13(5-2)16-14-9-11-15(12-10-14)17-20(18,19)6-3/h9-13,16-17H,4-8H2,1-3H3
InChIKeyDJXUYPRBVUMRKD-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.83
Rot. Bonds9

About N-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide

N-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide (PubChem CID 63945935) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide
PubChem CID63945935
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide
SMILESCCCCC(CC)Nc1ccc(NS(=O)(=O)CC)cc1
InChIInChI=1S/C15H26N2O2S/c1-4-7-8-13(5-2)16-14-9-11-15(12-10-14)17-20(18,19)6-3/h9-13,16-17H,4-8H2,1-3H3
InChIKeyDJXUYPRBVUMRKD-UHFFFAOYSA-N
XLogP3.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(butylamino)phenyl]ethanesulfonamide
CID 54866263
N-heptan-3-yl-4-(trifluoromethyl)aniline
CID 63947289
4-fluoro-N-octan-3-ylaniline
CID 150524995
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
2-[4-(heptan-3-ylamino)phenyl]acetonitrile
CID 63944926
CID 174697656
CID 174697656
N-undecan-3-ylaniline
CID 171755615
N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide
CID 63946276
N-heptan-3-yl-4-(trifluoromethylsulfanyl)aniline
CID 63944729
4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide
CID 63944752
N-(4-propoxyphenyl)ethanesulfonamide
CID 50895245
1-ethyl-5-(heptan-3-ylamino)pyridin-2-one
CID 63944956

Frequently Asked Questions

What is the IUPAC name of N-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide (CID 63945935) is N-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide is CCCCC(CC)Nc1ccc(NS(=O)(=O)CC)cc1.
What is the InChIKey of N-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide?
The InChIKey is DJXUYPRBVUMRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-7-8-13(5-2)16-14-9-11-15(12-10-14)17-20(18,19)6-3/h9-13,16-17H,4-8H2,1-3H3.
What are the key properties of N-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide?
N-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide is sourced from PubChem (CID 63945935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).