N-[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide

C17H21ClN4O3S — CID 55905392

IUPACN-[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H21ClN4O3S/c1-10(21-26(24,25)15-11(2)20-22(3)16(15)18)12-6-8-14(9-7-12)19-17(23)13-4-5-13/h6-10,13,21H,4-5H2,1-3H3,(H,19,23)
InChIKeySIEHTKMGVIQWNN-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.77
Rot. Bonds6

About N-[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 55905392) has the molecular formula C17H21ClN4O3S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID55905392
Molecular FormulaC17H21ClN4O3S
Molecular Weight396.90 g/mol
Exact Mass396.10
IUPAC NameN-[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H21ClN4O3S/c1-10(21-26(24,25)15-11(2)20-22(3)16(15)18)12-6-8-14(9-7-12)19-17(23)13-4-5-13/h6-10,13,21H,4-5H2,1-3H3,(H,19,23)
InChIKeySIEHTKMGVIQWNN-UHFFFAOYSA-N
XLogP2.77
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 55905392) is N-[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide is Cc1nn(C)c(Cl)c1S(=O)(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is SIEHTKMGVIQWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3S/c1-10(21-26(24,25)15-11(2)20-22(3)16(15)18)12-6-8-14(9-7-12)19-17(23)13-4-5-13/h6-10,13,21H,4-5H2,1-3H3,(H,19,23).
What are the key properties of N-[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 396.90 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55905392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).