3-azido-N,N-dibutyl-4-chlorobenzenesulfonamide

C14H21ClN4O2S — CID 150333076

IUPAC3-azido-N,N-dibutyl-4-chlorobenzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(Cl)c(N=[N+]=[N-])c1
InChIInChI=1S/C14H21ClN4O2S/c1-3-5-9-19(10-6-4-2)22(20,21)12-7-8-13(15)14(11-12)17-18-16/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyGQCAWUQGIFAVLQ-UHFFFAOYSA-N
MW344.87 g/mol
LogP4.87
Rot. Bonds9

About 3-azido-N,N-dibutyl-4-chlorobenzenesulfonamide

3-azido-N,N-dibutyl-4-chlorobenzenesulfonamide (PubChem CID 150333076) has the molecular formula C14H21ClN4O2S and a molecular weight of 344.87 g/mol. Its IUPAC name is 3-azido-N,N-dibutyl-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-azido-N,N-dibutyl-4-chlorobenzenesulfonamide
PubChem CID150333076
Molecular FormulaC14H21ClN4O2S
Molecular Weight344.87 g/mol
Exact Mass344.11
IUPAC Name3-azido-N,N-dibutyl-4-chlorobenzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(Cl)c(N=[N+]=[N-])c1
InChIInChI=1S/C14H21ClN4O2S/c1-3-5-9-19(10-6-4-2)22(20,21)12-7-8-13(15)14(11-12)17-18-16/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyGQCAWUQGIFAVLQ-UHFFFAOYSA-N
XLogP4.87
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[2-chloro-5-(dibutylsulfamoyl)phenyl]-1-(diaminomethylidene)guanidine
CID 168604578
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 106546170
N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448131
4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777
4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide
CID 60707695
3-amino-4-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61126076
N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448011
N-butyl-N-(2-chloroethyl)-4-methylbenzenesulfonamide
CID 63396720
4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide
CID 134017324
N,N-dibutyl-4-chloro-3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzenesulfonamide
CID 168539657
pentyl 3-azido-4-methylbenzenesulfonate
CID 90285666
2-chloro-N'-[4-(dibutylsulfamoyl)phenyl]ethanimidamide
CID 169368099

Frequently Asked Questions

What is the IUPAC name of 3-azido-N,N-dibutyl-4-chlorobenzenesulfonamide?
The IUPAC name of 3-azido-N,N-dibutyl-4-chlorobenzenesulfonamide (CID 150333076) is 3-azido-N,N-dibutyl-4-chlorobenzenesulfonamide.
What is the SMILES notation for 3-azido-N,N-dibutyl-4-chlorobenzenesulfonamide?
The canonical SMILES for 3-azido-N,N-dibutyl-4-chlorobenzenesulfonamide is CCCCN(CCCC)S(=O)(=O)c1ccc(Cl)c(N=[N+]=[N-])c1.
What is the InChIKey of 3-azido-N,N-dibutyl-4-chlorobenzenesulfonamide?
The InChIKey is GQCAWUQGIFAVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2S/c1-3-5-9-19(10-6-4-2)22(20,21)12-7-8-13(15)14(11-12)17-18-16/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 3-azido-N,N-dibutyl-4-chlorobenzenesulfonamide?
3-azido-N,N-dibutyl-4-chlorobenzenesulfonamide has a molecular weight of 344.87 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-N,N-dibutyl-4-chlorobenzenesulfonamide is sourced from PubChem (CID 150333076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).