2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide

C9H9Cl2N7O2S — CID 169365306

IUPAC2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1cc(Cl)c(S(N)(=O)=O)cc1-c1nn[nH]n1
InChIInChI=1S/C9H9Cl2N7O2S/c10-3-8(12)14-6-2-5(11)7(21(13,19)20)1-4(6)9-15-17-18-16-9/h1-2H,3H2,(H2,12,14)(H2,13,19,20)(H,15,16,17,18)
InChIKeyHBMDNHLAMWOZPH-UHFFFAOYSA-N
MW350.19 g/mol
LogP0.40
Rot. Bonds4

About 2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide

2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide (PubChem CID 169365306) has the molecular formula C9H9Cl2N7O2S and a molecular weight of 350.19 g/mol. Its IUPAC name is 2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide
PubChem CID169365306
Molecular FormulaC9H9Cl2N7O2S
Molecular Weight350.19 g/mol
Exact Mass348.99
IUPAC Name2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1cc(Cl)c(S(N)(=O)=O)cc1-c1nn[nH]n1
InChIInChI=1S/C9H9Cl2N7O2S/c10-3-8(12)14-6-2-5(11)7(21(13,19)20)1-4(6)9-15-17-18-16-9/h1-2H,3H2,(H2,12,14)(H2,13,19,20)(H,15,16,17,18)
InChIKeyHBMDNHLAMWOZPH-UHFFFAOYSA-N
XLogP0.40
TPSA153.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-chloro-5-[3-(2H-tetrazol-5-yl)thiophen-2-yl]benzenesulfonamide
CID 69335286
2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-5-(2H-tetrazol-5-yl)benzenesulfonamide
CID 169342507
2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide
CID 169366374
2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide
CID 169369481
2-chloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-5-(2H-tetrazol-5-yl)benzenesulfonamide
CID 169373910
2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide
CID 169367729
2-chloro-N'-(5-chloro-2,4-difluorophenyl)ethanimidamide
CID 169365117
3-chloro-N-[2-(2H-tetrazol-5-yl)phenyl]naphthalene-2-sulfonamide
CID 166400588
3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118265360
8-[(1-amino-2-chloroethylidene)amino]-3,6-dichloro-9H-carbazole-1-sulfonic acid
CID 169368316
N'-(5-bromo-2-fluoro-4-methylsulfonylphenyl)-2-chloroethanimidamide
CID 169368286
2-(2H-tetrazol-5-yl)-3-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 122687798

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide (CID 169365306) is 2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide is N/C(CCl)=N/c1cc(Cl)c(S(N)(=O)=O)cc1-c1nn[nH]n1.
What is the InChIKey of 2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide?
The InChIKey is HBMDNHLAMWOZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N7O2S/c10-3-8(12)14-6-2-5(11)7(21(13,19)20)1-4(6)9-15-17-18-16-9/h1-2H,3H2,(H2,12,14)(H2,13,19,20)(H,15,16,17,18).
What are the key properties of 2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide?
2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide has a molecular weight of 350.19 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide is sourced from PubChem (CID 169365306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).