4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide

C14H17ClN4O3S — CID 52680605

IUPAC4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cn[nH]c2)ccc1Cl
InChIInChI=1S/C14H17ClN4O3S/c1-3-19(4-2)23(21,22)13-7-10(5-6-12(13)15)14(20)18-11-8-16-17-9-11/h5-9H,3-4H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyDDGCSZCXWRGGHE-UHFFFAOYSA-N
MW356.84 g/mol
LogP2.35
Rot. Bonds6

About 4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide

4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 52680605) has the molecular formula C14H17ClN4O3S and a molecular weight of 356.84 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide
PubChem CID52680605
Molecular FormulaC14H17ClN4O3S
Molecular Weight356.84 g/mol
Exact Mass356.07
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cn[nH]c2)ccc1Cl
InChIInChI=1S/C14H17ClN4O3S/c1-3-19(4-2)23(21,22)13-7-10(5-6-12(13)15)14(20)18-11-8-16-17-9-11/h5-9H,3-4H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyDDGCSZCXWRGGHE-UHFFFAOYSA-N
XLogP2.35
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 26663982
4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
CID 2665643
4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 75469584
3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43539715
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 56581135
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630897
4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide
CID 60514755
4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide
CID 55805492
4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 2678518

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide (CID 52680605) is 4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cn[nH]c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is DDGCSZCXWRGGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3S/c1-3-19(4-2)23(21,22)13-7-10(5-6-12(13)15)14(20)18-11-8-16-17-9-11/h5-9H,3-4H2,1-2H3,(H,16,17)(H,18,20).
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide?
4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 356.84 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 52680605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).