[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide

C19H16ClN4O4S- — CID 4755554

IUPAC[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1
InChIInChI=1S/C19H17ClN4O4S/c1-12-9-10-21-19(22-12)24-29(26,27)15-6-4-14(5-7-15)23-18(25)16-11-13(20)3-8-17(16)28-2/h3-11H,1-2H3,(H2,21,22,23,24,25)/p-1
InChIKeyQOWYFYMWVAWUDU-UHFFFAOYSA-M
MW431.88 g/mol
LogP4.09
Rot. Bonds6

About [4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide

[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide (PubChem CID 4755554) has the molecular formula C19H16ClN4O4S- and a molecular weight of 431.88 g/mol. Its IUPAC name is [4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide.

Molecular Properties

Compound Name[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
PubChem CID4755554
Molecular FormulaC19H16ClN4O4S-
Molecular Weight431.88 g/mol
Exact Mass431.06
IUPAC Name[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1
InChIInChI=1S/C19H17ClN4O4S/c1-12-9-10-21-19(22-12)24-29(26,27)15-6-4-14(5-7-15)23-18(25)16-11-13(20)3-8-17(16)28-2/h3-11H,1-2H3,(H2,21,22,23,24,25)/p-1
InChIKeyQOWYFYMWVAWUDU-UHFFFAOYSA-M
XLogP4.09
TPSA112.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 3691554
[4-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
CID 4574778
[4-(ethoxycarbonylamino)phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 4746240
[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide
CID 5209976
5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 108756608
5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 762528
5-chloro-N-(4,6-dimethyl-2-pyridinyl)-2-methoxybenzamide
CID 868750
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2679160
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
silver [4-[(2-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 10816844
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide?
The IUPAC name of [4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide (CID 4755554) is [4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide.
What is the SMILES notation for [4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide?
The canonical SMILES for [4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide is COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1.
What is the InChIKey of [4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide?
The InChIKey is QOWYFYMWVAWUDU-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17ClN4O4S/c1-12-9-10-21-19(22-12)24-29(26,27)15-6-4-14(5-7-15)23-18(25)16-11-13(20)3-8-17(16)28-2/h3-11H,1-2H3,(H2,21,22,23,24,25)/p-1.
What are the key properties of [4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide?
[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide has a molecular weight of 431.88 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide is sourced from PubChem (CID 4755554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).