N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C24H22N6O4S — CID 41172918

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1
InChIInChI=1S/C24H22N6O4S/c1-34-22-11-3-2-10-21(22)27-35(32,33)20-9-5-7-17(15-20)24(31)25-18-8-4-6-16(14-18)23-26-28-29-30(23)19-12-13-19/h2-11,14-15,19,27H,12-13H2,1H3,(H,25,31)
InChIKeyDKJKQDPTBVVURK-UHFFFAOYSA-N
MW490.55 g/mol
LogP3.74
Rot. Bonds8

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 41172918) has the molecular formula C24H22N6O4S and a molecular weight of 490.55 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID41172918
Molecular FormulaC24H22N6O4S
Molecular Weight490.55 g/mol
Exact Mass490.14
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1
InChIInChI=1S/C24H22N6O4S/c1-34-22-11-3-2-10-21(22)27-35(32,33)20-9-5-7-17(15-20)24(31)25-18-8-4-6-16(14-18)23-26-28-29-30(23)19-12-13-19/h2-11,14-15,19,27H,12-13H2,1H3,(H,25,31)
InChIKeyDKJKQDPTBVVURK-UHFFFAOYSA-N
XLogP3.74
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 17493906
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46417635
N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164272
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide
CID 41181527
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26538003
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 24590722
N-(3-hydroxy-5-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 75452209
3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370167
3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2666822
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 9414168
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 30047747

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 41172918) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is DKJKQDPTBVVURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O4S/c1-34-22-11-3-2-10-21(22)27-35(32,33)20-9-5-7-17(15-20)24(31)25-18-8-4-6-16(14-18)23-26-28-29-30(23)19-12-13-19/h2-11,14-15,19,27H,12-13H2,1H3,(H,25,31).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 490.55 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 41172918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).