N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

C23H21ClN6O3S — CID 55631238

IUPACN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)Cc2ccc(-n3cnnn3)cc2)ccc1Cl
InChIInChI=1S/C23H21ClN6O3S/c1-2-30(20-6-4-3-5-7-20)34(32,33)22-15-18(10-13-21(22)24)26-23(31)14-17-8-11-19(12-9-17)29-16-25-27-28-29/h3-13,15-16H,2,14H2,1H3,(H,26,31)
InChIKeyDJDGGIUNIIBHLB-UHFFFAOYSA-N
MW496.98 g/mol
LogP3.71
Rot. Bonds8

About N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 55631238) has the molecular formula C23H21ClN6O3S and a molecular weight of 496.98 g/mol. Its IUPAC name is N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID55631238
Molecular FormulaC23H21ClN6O3S
Molecular Weight496.98 g/mol
Exact Mass496.11
IUPAC NameN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)Cc2ccc(-n3cnnn3)cc2)ccc1Cl
InChIInChI=1S/C23H21ClN6O3S/c1-2-30(20-6-4-3-5-7-20)34(32,33)22-15-18(10-13-21(22)24)26-23(31)14-17-8-11-19(12-9-17)29-16-25-27-28-29/h3-13,15-16H,2,14H2,1H3,(H,26,31)
InChIKeyDJDGGIUNIIBHLB-UHFFFAOYSA-N
XLogP3.71
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.98
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium
CID 7870484
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-nitrophenyl)acetamide
CID 35729144
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34058902
3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 42992579
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55600606
2-(2-chlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 8006243
N-(9-ethylcarbazol-3-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52576497
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 36589093
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 43054842
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 4664996
2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 52893457
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55633392

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 55631238) is N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)Cc2ccc(-n3cnnn3)cc2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is DJDGGIUNIIBHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O3S/c1-2-30(20-6-4-3-5-7-20)34(32,33)22-15-18(10-13-21(22)24)26-23(31)14-17-8-11-19(12-9-17)29-16-25-27-28-29/h3-13,15-16H,2,14H2,1H3,(H,26,31).
What are the key properties of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 496.98 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55631238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).