4-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]benzamide

C14H17ClN4O3S — CID 108571162

IUPAC4-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]benzamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4O3S/c1-9-13(10(2)19-18-9)23(21,22)17-8-7-16-14(20)11-3-5-12(15)6-4-11/h3-6,17H,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyQOIKYYBTHFYJIQ-UHFFFAOYSA-N
MW356.84 g/mol
LogP1.39
Rot. Bonds6

About 4-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]benzamide

4-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]benzamide (PubChem CID 108571162) has the molecular formula C14H17ClN4O3S and a molecular weight of 356.84 g/mol. Its IUPAC name is 4-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]benzamide
PubChem CID108571162
Molecular FormulaC14H17ClN4O3S
Molecular Weight356.84 g/mol
Exact Mass356.07
IUPAC Name4-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]benzamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4O3S/c1-9-13(10(2)19-18-9)23(21,22)17-8-7-16-14(20)11-3-5-12(15)6-4-11/h3-6,17H,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyQOIKYYBTHFYJIQ-UHFFFAOYSA-N
XLogP1.39
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide
CID 108570983
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574816
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-4-methylbenzamide
CID 108570686
N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110788295
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108572585
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 112997690
4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
CID 31829485
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113083900

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]benzamide (CID 108571162) is 4-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]benzamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]benzamide?
The InChIKey is QOIKYYBTHFYJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3S/c1-9-13(10(2)19-18-9)23(21,22)17-8-7-16-14(20)11-3-5-12(15)6-4-11/h3-6,17H,7-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]benzamide?
4-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]benzamide has a molecular weight of 356.84 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 108571162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).