5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide

C19H20ClN5O6S2 — CID 18880120

IUPAC5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide
SMILESCCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)n1
InChIInChI=1S/C19H20ClN5O6S2/c1-4-9-32(27,28)19-21-10-15(20)16(23-19)17(26)22-13-5-7-14(8-6-13)33(29,30)25-18-11(2)12(3)24-31-18/h5-8,10,25H,4,9H2,1-3H3,(H,22,26)
InChIKeyXGKBHPVCDIYXHM-UHFFFAOYSA-N
MW513.99 g/mol
LogP2.97
Rot. Bonds8

About 5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide

5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide (PubChem CID 18880120) has the molecular formula C19H20ClN5O6S2 and a molecular weight of 513.99 g/mol. Its IUPAC name is 5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide
PubChem CID18880120
Molecular FormulaC19H20ClN5O6S2
Molecular Weight513.99 g/mol
Exact Mass513.05
IUPAC Name5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide
SMILESCCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)n1
InChIInChI=1S/C19H20ClN5O6S2/c1-4-9-32(27,28)19-21-10-15(20)16(23-19)17(26)22-13-5-7-14(8-6-13)33(29,30)25-18-11(2)12(3)24-31-18/h5-8,10,25H,4,9H2,1-3H3,(H,22,26)
InChIKeyXGKBHPVCDIYXHM-UHFFFAOYSA-N
XLogP2.97
TPSA161.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.99
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4119855
5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 2990902
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 19225858
ethyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
CID 841728
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,6-dimethylpyridine-2-carboxamide
CID 19224388
3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
CID 1184444
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethylbutanamide
CID 3456725
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 5046522
5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 2988172
4-(diethylphosphorylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 134087514
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110501459
2-(2,4-dichlorophenoxy)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide (CID 18880120) is 5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide is CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)n1.
What is the InChIKey of 5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide?
The InChIKey is XGKBHPVCDIYXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O6S2/c1-4-9-32(27,28)19-21-10-15(20)16(23-19)17(26)22-13-5-7-14(8-6-13)33(29,30)25-18-11(2)12(3)24-31-18/h5-8,10,25H,4,9H2,1-3H3,(H,22,26).
What are the key properties of 5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide?
5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide has a molecular weight of 513.99 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-propylsulfonylpyrimidine-4-carboxamide is sourced from PubChem (CID 18880120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).