3-[3-(5-amino-4-chloro-3-pyridinyl)-5-cyano-6-methylindol-1-yl]cyclobutane-1-sulfonamide

C19H18ClN5O2S — CID 137436467

IUPAC3-[3-(5-amino-4-chloro-3-pyridinyl)-5-cyano-6-methylindol-1-yl]cyclobutane-1-sulfonamide
SMILESCc1cc2c(cc1C#N)c(-c1cncc(N)c1Cl)cn2C1CC(S(N)(=O)=O)C1
InChIInChI=1S/C19H18ClN5O2S/c1-10-2-18-14(3-11(10)6-21)16(15-7-24-8-17(22)19(15)20)9-25(18)12-4-13(5-12)28(23,26)27/h2-3,7-9,12-13H,4-5,22H2,1H3,(H2,23,26,27)
InChIKeyHCUFYCGDERIANK-UHFFFAOYSA-N
MW415.91 g/mol
LogP3.11
Rot. Bonds3

About 3-[3-(5-amino-4-chloro-3-pyridinyl)-5-cyano-6-methylindol-1-yl]cyclobutane-1-sulfonamide

3-[3-(5-amino-4-chloro-3-pyridinyl)-5-cyano-6-methylindol-1-yl]cyclobutane-1-sulfonamide (PubChem CID 137436467) has the molecular formula C19H18ClN5O2S and a molecular weight of 415.91 g/mol. Its IUPAC name is 3-[3-(5-amino-4-chloro-3-pyridinyl)-5-cyano-6-methylindol-1-yl]cyclobutane-1-sulfonamide.

Molecular Properties

Compound Name3-[3-(5-amino-4-chloro-3-pyridinyl)-5-cyano-6-methylindol-1-yl]cyclobutane-1-sulfonamide
PubChem CID137436467
Molecular FormulaC19H18ClN5O2S
Molecular Weight415.91 g/mol
Exact Mass415.09
IUPAC Name3-[3-(5-amino-4-chloro-3-pyridinyl)-5-cyano-6-methylindol-1-yl]cyclobutane-1-sulfonamide
SMILESCc1cc2c(cc1C#N)c(-c1cncc(N)c1Cl)cn2C1CC(S(N)(=O)=O)C1
InChIInChI=1S/C19H18ClN5O2S/c1-10-2-18-14(3-11(10)6-21)16(15-7-24-8-17(22)19(15)20)9-25(18)12-4-13(5-12)28(23,26)27/h2-3,7-9,12-13H,4-5,22H2,1H3,(H2,23,26,27)
InChIKeyHCUFYCGDERIANK-UHFFFAOYSA-N
XLogP3.11
TPSA127.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.91
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-amino-4-chloro-3-pyridinyl)-5-cyano-6-methylindol-1-yl]cyclobutane-1-sulfonamide?
The IUPAC name of 3-[3-(5-amino-4-chloro-3-pyridinyl)-5-cyano-6-methylindol-1-yl]cyclobutane-1-sulfonamide (CID 137436467) is 3-[3-(5-amino-4-chloro-3-pyridinyl)-5-cyano-6-methylindol-1-yl]cyclobutane-1-sulfonamide.
What is the SMILES notation for 3-[3-(5-amino-4-chloro-3-pyridinyl)-5-cyano-6-methylindol-1-yl]cyclobutane-1-sulfonamide?
The canonical SMILES for 3-[3-(5-amino-4-chloro-3-pyridinyl)-5-cyano-6-methylindol-1-yl]cyclobutane-1-sulfonamide is Cc1cc2c(cc1C#N)c(-c1cncc(N)c1Cl)cn2C1CC(S(N)(=O)=O)C1.
What is the InChIKey of 3-[3-(5-amino-4-chloro-3-pyridinyl)-5-cyano-6-methylindol-1-yl]cyclobutane-1-sulfonamide?
The InChIKey is HCUFYCGDERIANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2S/c1-10-2-18-14(3-11(10)6-21)16(15-7-24-8-17(22)19(15)20)9-25(18)12-4-13(5-12)28(23,26)27/h2-3,7-9,12-13H,4-5,22H2,1H3,(H2,23,26,27).
What are the key properties of 3-[3-(5-amino-4-chloro-3-pyridinyl)-5-cyano-6-methylindol-1-yl]cyclobutane-1-sulfonamide?
3-[3-(5-amino-4-chloro-3-pyridinyl)-5-cyano-6-methylindol-1-yl]cyclobutane-1-sulfonamide has a molecular weight of 415.91 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-amino-4-chloro-3-pyridinyl)-5-cyano-6-methylindol-1-yl]cyclobutane-1-sulfonamide is sourced from PubChem (CID 137436467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).