3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide

C8H8BrClN6O2S — CID 62955847

IUPAC3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCc2nn[nH]n2)c1Br
InChIInChI=1S/C8H8BrClN6O2S/c9-8-5(11)1-4(10)2-6(8)19(17,18)12-3-7-13-15-16-14-7/h1-2,12H,3,11H2,(H,13,14,15,16)
InChIKeyVQKYRKQCPDHIDB-UHFFFAOYSA-N
MW367.62 g/mol
LogP0.68
Rot. Bonds4

About 3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide

3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 62955847) has the molecular formula C8H8BrClN6O2S and a molecular weight of 367.62 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
PubChem CID62955847
Molecular FormulaC8H8BrClN6O2S
Molecular Weight367.62 g/mol
Exact Mass365.93
IUPAC Name3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCc2nn[nH]n2)c1Br
InChIInChI=1S/C8H8BrClN6O2S/c9-8-5(11)1-4(10)2-6(8)19(17,18)12-3-7-13-15-16-14-7/h1-2,12H,3,11H2,(H,13,14,15,16)
InChIKeyVQKYRKQCPDHIDB-UHFFFAOYSA-N
XLogP0.68
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.62
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-bromo-5-chloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 62955823
3-amino-2-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 62956542
3-amino-2-bromo-5-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 62957769
3-amino-2-bromo-5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369284
3-amino-2-bromo-5-chloro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 62956906
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 106504713
3-amino-2-bromo-5-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954404
3-amino-2-bromo-5-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64519149
3-(aminomethyl)-5-bromo-2-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 106051560
5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 106051610
N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 62957416

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (CID 62955847) is 3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)NCc2nn[nH]n2)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is VQKYRKQCPDHIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN6O2S/c9-8-5(11)1-4(10)2-6(8)19(17,18)12-3-7-13-15-16-14-7/h1-2,12H,3,11H2,(H,13,14,15,16).
What are the key properties of 3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 367.62 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 62955847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).