N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride

C16H30ClN3O4S2 — CID 119993076

IUPACN-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(NS(=O)(=O)CCCC)cc1.Cl
InChIInChI=1S/C16H29N3O4S2.ClH/c1-3-5-7-15(13-17)19-25(22,23)16-10-8-14(9-11-16)18-24(20,21)12-6-4-2;/h8-11,15,18-19H,3-7,12-13,17H2,1-2H3;1H
InChIKeyYHQFSABHOBBRKC-UHFFFAOYSA-N
MW428.02 g/mol
LogP2.45
Rot. Bonds12

About N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride

N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride (PubChem CID 119993076) has the molecular formula C16H30ClN3O4S2 and a molecular weight of 428.02 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride
PubChem CID119993076
Molecular FormulaC16H30ClN3O4S2
Molecular Weight428.02 g/mol
Exact Mass427.14
IUPAC NameN-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(NS(=O)(=O)CCCC)cc1.Cl
InChIInChI=1S/C16H29N3O4S2.ClH/c1-3-5-7-15(13-17)19-25(22,23)16-10-8-14(9-11-16)18-24(20,21)12-6-4-2;/h8-11,15,18-19H,3-7,12-13,17H2,1-2H3;1H
InChIKeyYHQFSABHOBBRKC-UHFFFAOYSA-N
XLogP2.45
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.02
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119992966
N-(1-aminohexan-2-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86813393
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 80697633
4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119993234
N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119993050
4-(1-aminohexan-2-ylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
CID 120712524
N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride
CID 119993373
N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide
CID 119972480
N-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide
CID 119992937

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride (CID 119993076) is N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)c1ccc(NS(=O)(=O)CCCC)cc1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride?
The InChIKey is YHQFSABHOBBRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4S2.ClH/c1-3-5-7-15(13-17)19-25(22,23)16-10-8-14(9-11-16)18-24(20,21)12-6-4-2;/h8-11,15,18-19H,3-7,12-13,17H2,1-2H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride has a molecular weight of 428.02 g/mol, XLogP of 2.45, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119993076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).