4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide

C15H13ClN6O3S — CID 41357033

IUPAC4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1
InChIInChI=1S/C15H13ClN6O3S/c1-22-14(19-20-21-22)9-3-2-4-11(7-9)18-15(23)10-5-6-12(16)13(8-10)26(17,24)25/h2-8H,1H3,(H,18,23)(H2,17,24,25)
InChIKeyBKUJJEQGTJWDCW-UHFFFAOYSA-N
MW392.83 g/mol
LogP1.43
Rot. Bonds4

About 4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide

4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide (PubChem CID 41357033) has the molecular formula C15H13ClN6O3S and a molecular weight of 392.83 g/mol. Its IUPAC name is 4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide
PubChem CID41357033
Molecular FormulaC15H13ClN6O3S
Molecular Weight392.83 g/mol
Exact Mass392.05
IUPAC Name4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1
InChIInChI=1S/C15H13ClN6O3S/c1-22-14(19-20-21-22)9-3-2-4-11(7-9)18-15(23)10-5-6-12(16)13(8-10)26(17,24)25/h2-8H,1H3,(H,18,23)(H2,17,24,25)
InChIKeyBKUJJEQGTJWDCW-UHFFFAOYSA-N
XLogP1.43
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.83
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 51304309
2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 17422742
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788208
4-(difluoromethoxy)-3-methoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 41357494
N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733195
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 41360360
4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688500
4-chloro-N-(3,4-dimethoxyphenyl)-3-sulfamoylbenzamide
CID 26695102
2-(4-chlorophenyl)sulfonyl-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 41360617

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide (CID 41357033) is 4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide is Cn1nnnc1-c1cccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1.
What is the InChIKey of 4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide?
The InChIKey is BKUJJEQGTJWDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O3S/c1-22-14(19-20-21-22)9-3-2-4-11(7-9)18-15(23)10-5-6-12(16)13(8-10)26(17,24)25/h2-8H,1H3,(H,18,23)(H2,17,24,25).
What are the key properties of 4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide?
4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide has a molecular weight of 392.83 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 41357033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).