(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide

C21H22ClN7O3S — CID 41133349

IUPAC(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide
SMILESCC[C@H](C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H22ClN7O3S/c1-2-18(29-26-20(25-28-29)14-8-10-15(22)11-9-14)21(30)24-16-5-3-6-17(13-16)33(31,32)27-19-7-4-12-23-19/h3,5-6,8-11,13,18H,2,4,7,12H2,1H3,(H,23,27)(H,24,30)/t18-/m1/s1
InChIKeySGZTWJFGJUXQRX-GOSISDBHSA-N
MW487.97 g/mol
LogP3.05
Rot. Bonds7

About (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide

(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide (PubChem CID 41133349) has the molecular formula C21H22ClN7O3S and a molecular weight of 487.97 g/mol. Its IUPAC name is (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide
PubChem CID41133349
Molecular FormulaC21H22ClN7O3S
Molecular Weight487.97 g/mol
Exact Mass487.12
IUPAC Name(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide
SMILESCC[C@H](C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H22ClN7O3S/c1-2-18(29-26-20(25-28-29)14-8-10-15(22)11-9-14)21(30)24-16-5-3-6-17(13-16)33(31,32)27-19-7-4-12-23-19/h3,5-6,8-11,13,18H,2,4,7,12H2,1H3,(H,23,27)(H,24,30)/t18-/m1/s1
InChIKeySGZTWJFGJUXQRX-GOSISDBHSA-N
XLogP3.05
TPSA131.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.97
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)butanamide
CID 55434010
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 24676066
1-[[3-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984019
2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide
CID 56538343
2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide
CID 42905606
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]butanamide
CID 55978138
(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide
CID 9450352
1-(4-chlorophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 39298461
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide
CID 55433773
5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide
CID 26901878
2-[[1-(4-chlorophenyl)cyclohexyl]amino]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide
CID 75532375
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 16567945

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide (CID 41133349) is (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide is CC[C@H](C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)n1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide?
The InChIKey is SGZTWJFGJUXQRX-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22ClN7O3S/c1-2-18(29-26-20(25-28-29)14-8-10-15(22)11-9-14)21(30)24-16-5-3-6-17(13-16)33(31,32)27-19-7-4-12-23-19/h3,5-6,8-11,13,18H,2,4,7,12H2,1H3,(H,23,27)(H,24,30)/t18-/m1/s1.
What are the key properties of (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide?
(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide has a molecular weight of 487.97 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 41133349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).