3-[azidosulfonyl(methyl)amino]propylbenzene

C10H14N4O2S — CID 88571404

IUPAC3-[azidosulfonyl(methyl)amino]propylbenzene
SMILESCN(CCCc1ccccc1)S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C10H14N4O2S/c1-14(17(15,16)13-12-11)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyKGFNASLHXRKTIO-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.11
Rot. Bonds6

About 3-[azidosulfonyl(methyl)amino]propylbenzene

3-[azidosulfonyl(methyl)amino]propylbenzene (PubChem CID 88571404) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-[azidosulfonyl(methyl)amino]propylbenzene.

Molecular Properties

Compound Name3-[azidosulfonyl(methyl)amino]propylbenzene
PubChem CID88571404
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name3-[azidosulfonyl(methyl)amino]propylbenzene
SMILESCN(CCCc1ccccc1)S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C10H14N4O2S/c1-14(17(15,16)13-12-11)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyKGFNASLHXRKTIO-UHFFFAOYSA-N
XLogP2.11
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-methyl-N-(5-phenylpentyl)benzenesulfonamide
CID 22024838
3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 43587419
2-[methyl(2-phenylethyl)sulfamoyl]acetic acid
CID 60951883
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
N,4-dimethyl-2-oxo-N-(3-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide
CID 60985434
2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide
CID 61053398
4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 61301532
4-[methyl(2-phenylethylsulfonyl)amino]butanoic acid
CID 39385608
fluoromethane;methyl(2-phenylethyl)sulfamic acid
CID 154691947
2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide
CID 114328216
N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide
CID 110669404
N,N-dimethyl-3-phenylpropan-1-amine;nitric acid
CID 173132707

Frequently Asked Questions

What is the IUPAC name of 3-[azidosulfonyl(methyl)amino]propylbenzene?
The IUPAC name of 3-[azidosulfonyl(methyl)amino]propylbenzene (CID 88571404) is 3-[azidosulfonyl(methyl)amino]propylbenzene.
What is the SMILES notation for 3-[azidosulfonyl(methyl)amino]propylbenzene?
The canonical SMILES for 3-[azidosulfonyl(methyl)amino]propylbenzene is CN(CCCc1ccccc1)S(=O)(=O)N=[N+]=[N-].
What is the InChIKey of 3-[azidosulfonyl(methyl)amino]propylbenzene?
The InChIKey is KGFNASLHXRKTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-14(17(15,16)13-12-11)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of 3-[azidosulfonyl(methyl)amino]propylbenzene?
3-[azidosulfonyl(methyl)amino]propylbenzene has a molecular weight of 254.31 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[azidosulfonyl(methyl)amino]propylbenzene is sourced from PubChem (CID 88571404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).