JWMBLBYZEHPJIW-IHWYPQMZSA-N

Name: JWMBLBYZEHPJIW-IHWYPQMZSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₈N₆O₂S₂ — CID 50943692

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide

SMILESC/C=C\c1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1

InChIInChI=1S/C17H18N6O2S2/c1-2-3-11-9-19-17(13-6-7-15(26-13)27(18,24)25)21-16(11)20-14-8-12(22-23-14)10-4-5-10/h2-3,6-10H,4-5H2,1H3,(H2,18,24,25)(H2,19,20,21,22,23)/b3-2-

InChIKeyJWMBLBYZEHPJIW-IHWYPQMZSA-N

MW402.51 g/mol

LogP3.23

Rot. Bonds6

About JWMBLBYZEHPJIW-IHWYPQMZSA-N

JWMBLBYZEHPJIW-IHWYPQMZSA-N (PubChem CID 50943692) has the molecular formula C₁₇H₁₈N₆O₂S₂ and a molecular weight of 402.51 g/mol. Its IUPAC name is 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name	JWMBLBYZEHPJIW-IHWYPQMZSA-N
PubChem CID	50943692
Molecular Formula	C₁₇H₁₈N₆O₂S₂
Molecular Weight	402.51 g/mol
Exact Mass	402.09
IUPAC Name	5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide
SMILES	C/C=C\c1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1
InChI	InChI=1S/C17H18N6O2S2/c1-2-3-11-9-19-17(13-6-7-15(26-13)27(18,24)25)21-16(11)20-14-8-12(22-23-14)10-4-5-10/h2-3,6-10H,4-5H2,1H3,(H2,18,24,25)(H2,19,20,21,22,23)/b3-2-
InChIKey	JWMBLBYZEHPJIW-IHWYPQMZSA-N
XLogP	3.23
TPSA	126.65 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.51
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of JWMBLBYZEHPJIW-IHWYPQMZSA-N?

The IUPAC name of JWMBLBYZEHPJIW-IHWYPQMZSA-N (CID 50943692) is 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide.

What is the SMILES notation for JWMBLBYZEHPJIW-IHWYPQMZSA-N?

The canonical SMILES for JWMBLBYZEHPJIW-IHWYPQMZSA-N is C/C=C\c1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.

What is the InChIKey of JWMBLBYZEHPJIW-IHWYPQMZSA-N?

The InChIKey is JWMBLBYZEHPJIW-IHWYPQMZSA-N. The full InChI is InChI=1S/C17H18N6O2S2/c1-2-3-11-9-19-17(13-6-7-15(26-13)27(18,24)25)21-16(11)20-14-8-12(22-23-14)10-4-5-10/h2-3,6-10H,4-5H2,1H3,(H2,18,24,25)(H2,19,20,21,22,23)/b3-2-.

What are the key properties of JWMBLBYZEHPJIW-IHWYPQMZSA-N?

JWMBLBYZEHPJIW-IHWYPQMZSA-N has a molecular weight of 402.51 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for JWMBLBYZEHPJIW-IHWYPQMZSA-N is sourced from PubChem (CID 50943692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 50943692 — identifiers, structure, computed properties (public domain)

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