1-[4-(dibutylamino)butyl]-4-(sulfamoylamino)benzene

C18H33N3O2S — CID 70411428

IUPAC1-[4-(dibutylamino)butyl]-4-(sulfamoylamino)benzene
SMILESCCCCN(CCCC)CCCCc1ccc(NS(N)(=O)=O)cc1
InChIInChI=1S/C18H33N3O2S/c1-3-5-14-21(15-6-4-2)16-8-7-9-17-10-12-18(13-11-17)20-24(19,22)23/h10-13,20H,3-9,14-16H2,1-2H3,(H2,19,22,23)
InChIKeyIJAMSHKZOLEXMZ-UHFFFAOYSA-N
MW355.55 g/mol
LogP3.53
Rot. Bonds13

About 1-[4-(dibutylamino)butyl]-4-(sulfamoylamino)benzene

1-[4-(dibutylamino)butyl]-4-(sulfamoylamino)benzene (PubChem CID 70411428) has the molecular formula C18H33N3O2S and a molecular weight of 355.55 g/mol. Its IUPAC name is 1-[4-(dibutylamino)butyl]-4-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-[4-(dibutylamino)butyl]-4-(sulfamoylamino)benzene
PubChem CID70411428
Molecular FormulaC18H33N3O2S
Molecular Weight355.55 g/mol
Exact Mass355.23
IUPAC Name1-[4-(dibutylamino)butyl]-4-(sulfamoylamino)benzene
SMILESCCCCN(CCCC)CCCCc1ccc(NS(N)(=O)=O)cc1
InChIInChI=1S/C18H33N3O2S/c1-3-5-14-21(15-6-4-2)16-8-7-9-17-10-12-18(13-11-17)20-24(19,22)23/h10-13,20H,3-9,14-16H2,1-2H3,(H2,19,22,23)
InChIKeyIJAMSHKZOLEXMZ-UHFFFAOYSA-N
XLogP3.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[ethyl(heptyl)amino]methyl]-4-(sulfamoylamino)benzene;methane
CID 70411356
1-[4-[decyl(ethyl)amino]-1-hydroxybutyl]-4-(sulfamoylamino)benzene
CID 70411210
2-amino-N-(4-butylphenyl)ethanesulfonamide
CID 43378477
N-[4-[4-[ethyl(heptyl)amino]butyl]phenyl]methanesulfonamide;4-methylbenzenesulfonic acid
CID 23316748
N-[4-[4-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]butyl]phenyl]methanesulfonamide
CID 14645113
3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide
CID 61250073
N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine
CID 151532022
N,N-dihexyl-12-phenyldodecan-1-amine
CID 158185325
N-octyl-N-(5-phenylpentyl)octan-1-amine
CID 175488392
3-[4-(sulfamoylamino)phenyl]propanoic acid
CID 114959005
N-[4-(3-aminopropyl)phenyl]ethanesulfonamide
CID 28754709
1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane
CID 156867707

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dibutylamino)butyl]-4-(sulfamoylamino)benzene?
The IUPAC name of 1-[4-(dibutylamino)butyl]-4-(sulfamoylamino)benzene (CID 70411428) is 1-[4-(dibutylamino)butyl]-4-(sulfamoylamino)benzene.
What is the SMILES notation for 1-[4-(dibutylamino)butyl]-4-(sulfamoylamino)benzene?
The canonical SMILES for 1-[4-(dibutylamino)butyl]-4-(sulfamoylamino)benzene is CCCCN(CCCC)CCCCc1ccc(NS(N)(=O)=O)cc1.
What is the InChIKey of 1-[4-(dibutylamino)butyl]-4-(sulfamoylamino)benzene?
The InChIKey is IJAMSHKZOLEXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2S/c1-3-5-14-21(15-6-4-2)16-8-7-9-17-10-12-18(13-11-17)20-24(19,22)23/h10-13,20H,3-9,14-16H2,1-2H3,(H2,19,22,23).
What are the key properties of 1-[4-(dibutylamino)butyl]-4-(sulfamoylamino)benzene?
1-[4-(dibutylamino)butyl]-4-(sulfamoylamino)benzene has a molecular weight of 355.55 g/mol, XLogP of 3.53, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dibutylamino)butyl]-4-(sulfamoylamino)benzene is sourced from PubChem (CID 70411428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).