N,1-dimethyl-N-(2-methyl-4-pyridinyl)indole-7-sulfonamide

C16H17N3O2S — CID 167979840

IUPACN,1-dimethyl-N-(2-methyl-4-pyridinyl)indole-7-sulfonamide
SMILESCc1cc(N(C)S(=O)(=O)c2cccc3ccn(C)c23)ccn1
InChIInChI=1S/C16H17N3O2S/c1-12-11-14(7-9-17-12)19(3)22(20,21)15-6-4-5-13-8-10-18(2)16(13)15/h4-11H,1-3H3
InChIKeyUKWWQSWEOPTEAV-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.71
Rot. Bonds3

About N,1-dimethyl-N-(2-methyl-4-pyridinyl)indole-7-sulfonamide

N,1-dimethyl-N-(2-methyl-4-pyridinyl)indole-7-sulfonamide (PubChem CID 167979840) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N,1-dimethyl-N-(2-methyl-4-pyridinyl)indole-7-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(2-methyl-4-pyridinyl)indole-7-sulfonamide
PubChem CID167979840
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN,1-dimethyl-N-(2-methyl-4-pyridinyl)indole-7-sulfonamide
SMILESCc1cc(N(C)S(=O)(=O)c2cccc3ccn(C)c23)ccn1
InChIInChI=1S/C16H17N3O2S/c1-12-11-14(7-9-17-12)19(3)22(20,21)15-6-4-5-13-8-10-18(2)16(13)15/h4-11H,1-3H3
InChIKeyUKWWQSWEOPTEAV-UHFFFAOYSA-N
XLogP2.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(2-methyl-4-pyridinyl)indole-7-sulfonamide?
The IUPAC name of N,1-dimethyl-N-(2-methyl-4-pyridinyl)indole-7-sulfonamide (CID 167979840) is N,1-dimethyl-N-(2-methyl-4-pyridinyl)indole-7-sulfonamide.
What is the SMILES notation for N,1-dimethyl-N-(2-methyl-4-pyridinyl)indole-7-sulfonamide?
The canonical SMILES for N,1-dimethyl-N-(2-methyl-4-pyridinyl)indole-7-sulfonamide is Cc1cc(N(C)S(=O)(=O)c2cccc3ccn(C)c23)ccn1.
What is the InChIKey of N,1-dimethyl-N-(2-methyl-4-pyridinyl)indole-7-sulfonamide?
The InChIKey is UKWWQSWEOPTEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-12-11-14(7-9-17-12)19(3)22(20,21)15-6-4-5-13-8-10-18(2)16(13)15/h4-11H,1-3H3.
What are the key properties of N,1-dimethyl-N-(2-methyl-4-pyridinyl)indole-7-sulfonamide?
N,1-dimethyl-N-(2-methyl-4-pyridinyl)indole-7-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(2-methyl-4-pyridinyl)indole-7-sulfonamide is sourced from PubChem (CID 167979840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).