N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide

C27H34N4O3S — CID 127038281

IUPACN-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(CC2CC2)C2CCN(CCOc3ccccc3-c3ccccc3)CC2)cn1
InChIInChI=1S/C27H34N4O3S/c1-29-21-25(19-28-29)35(32,33)31(20-22-11-12-22)24-13-15-30(16-14-24)17-18-34-27-10-6-5-9-26(27)23-7-3-2-4-8-23/h2-10,19,21-22,24H,11-18,20H2,1H3
InChIKeyGGDBGNYGXSSSQM-UHFFFAOYSA-N
MW494.66 g/mol
LogP4.03
Rot. Bonds10

About N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide

N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide (PubChem CID 127038281) has the molecular formula C27H34N4O3S and a molecular weight of 494.66 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
PubChem CID127038281
Molecular FormulaC27H34N4O3S
Molecular Weight494.66 g/mol
Exact Mass494.24
IUPAC NameN-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(CC2CC2)C2CCN(CCOc3ccccc3-c3ccccc3)CC2)cn1
InChIInChI=1S/C27H34N4O3S/c1-29-21-25(19-28-29)35(32,33)31(20-22-11-12-22)24-13-15-30(16-14-24)17-18-34-27-10-6-5-9-26(27)23-7-3-2-4-8-23/h2-10,19,21-22,24H,11-18,20H2,1H3
InChIKeyGGDBGNYGXSSSQM-UHFFFAOYSA-N
XLogP4.03
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.66
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide (CID 127038281) is N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N(CC2CC2)C2CCN(CCOc3ccccc3-c3ccccc3)CC2)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide?
The InChIKey is GGDBGNYGXSSSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3S/c1-29-21-25(19-28-29)35(32,33)31(20-22-11-12-22)24-13-15-30(16-14-24)17-18-34-27-10-6-5-9-26(27)23-7-3-2-4-8-23/h2-10,19,21-22,24H,11-18,20H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide?
N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide has a molecular weight of 494.66 g/mol, XLogP of 4.03, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 127038281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).