2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate

C15H12N5O4S- — CID 7042585

IUPAC2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)cc1C(=O)[O-]
InChIInChI=1S/C15H13N5O4S/c1-10-2-7-13(8-14(10)15(21)22)25(23,24)17-11-3-5-12(6-4-11)20-9-16-18-19-20/h2-9,17H,1H3,(H,21,22)/p-1
InChIKeyDPPUKELQRVQKGP-UHFFFAOYSA-M
MW358.36 g/mol
LogP0.14
Rot. Bonds5

About 2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate

2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate (PubChem CID 7042585) has the molecular formula C15H12N5O4S- and a molecular weight of 358.36 g/mol. Its IUPAC name is 2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Name2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate
PubChem CID7042585
Molecular FormulaC15H12N5O4S-
Molecular Weight358.36 g/mol
Exact Mass358.06
IUPAC Name2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)cc1C(=O)[O-]
InChIInChI=1S/C15H13N5O4S/c1-10-2-7-13(8-14(10)15(21)22)25(23,24)17-11-3-5-12(6-4-11)20-9-16-18-19-20/h2-9,17H,1H3,(H,21,22)/p-1
InChIKeyDPPUKELQRVQKGP-UHFFFAOYSA-M
XLogP0.14
TPSA129.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate
CID 5017065
N-[4-(tetrazol-1-yl)phenyl]naphthalene-2-sulfonamide
CID 2467029
3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 39827484
2,3-dimethyl-5-nitro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 24510066
N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 166204102
4-(azepan-1-ylsulfonyl)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 1448327
5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate
CID 7040597
3-chloro-4-(difluoromethoxy)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 39827496
3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 35548707
N-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide
CID 5045129
5-[[4-(2,4-dimethylphenyl)sulfanylphenyl]sulfamoyl]-2-methylbenzoate
CID 7042288
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate?
The IUPAC name of 2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate (CID 7042585) is 2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate.
What is the SMILES notation for 2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate?
The canonical SMILES for 2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate is Cc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)cc1C(=O)[O-].
What is the InChIKey of 2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate?
The InChIKey is DPPUKELQRVQKGP-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13N5O4S/c1-10-2-7-13(8-14(10)15(21)22)25(23,24)17-11-3-5-12(6-4-11)20-9-16-18-19-20/h2-9,17H,1H3,(H,21,22)/p-1.
What are the key properties of 2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate?
2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate has a molecular weight of 358.36 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 7042585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).