N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide

C14H25N3O4S2 — CID 119972480

IUPACN-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC(C)N)cc1
InChIInChI=1S/C14H25N3O4S2/c1-3-4-11-22(18,19)17-13-5-7-14(8-6-13)23(20,21)16-10-9-12(2)15/h5-8,12,16-17H,3-4,9-11,15H2,1-2H3
InChIKeyVVCVZTXQOWHSLH-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.24
Rot. Bonds10

About N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide

N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide (PubChem CID 119972480) has the molecular formula C14H25N3O4S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide
PubChem CID119972480
Molecular FormulaC14H25N3O4S2
Molecular Weight363.51 g/mol
Exact Mass363.13
IUPAC NameN-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC(C)N)cc1
InChIInChI=1S/C14H25N3O4S2/c1-3-4-11-22(18,19)17-13-5-7-14(8-6-13)23(20,21)16-10-9-12(2)15/h5-8,12,16-17H,3-4,9-11,15H2,1-2H3
InChIKeyVVCVZTXQOWHSLH-UHFFFAOYSA-N
XLogP1.24
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride
CID 119993076
N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide
CID 139492880
N-(4-aminopentyl)benzenesulfonamide
CID 106125730
4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977075
4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 22202772
N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 110408296
4-(butylsulfonylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 19683751
ethyl 4-(3-aminobutylsulfamoyl)benzoate;hydrochloride
CID 119972640
4-(1-aminoethyl)-N-pentylbenzenesulfonamide
CID 43095770
N-(4-aminopentyl)butane-1-sulfonamide
CID 106125942
N-(3-aminobutyl)-4-(4-methoxyphenoxy)benzenesulfonamide
CID 119972545

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide?
The IUPAC name of N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide (CID 119972480) is N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide?
The canonical SMILES for N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide is CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC(C)N)cc1.
What is the InChIKey of N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide?
The InChIKey is VVCVZTXQOWHSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S2/c1-3-4-11-22(18,19)17-13-5-7-14(8-6-13)23(20,21)16-10-9-12(2)15/h5-8,12,16-17H,3-4,9-11,15H2,1-2H3.
What are the key properties of N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide?
N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide has a molecular weight of 363.51 g/mol, XLogP of 1.24, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 119972480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).