5-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiophene-2-sulfonamide

C19H17N3O3S2 — CID 58086295

IUPAC5-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCOc1cccc(-c2ccc(S(=O)(=O)NCc3c[nH]c4ncccc34)s2)c1
InChIInChI=1S/C19H17N3O3S2/c1-25-15-5-2-4-13(10-15)17-7-8-18(26-17)27(23,24)22-12-14-11-21-19-16(14)6-3-9-20-19/h2-11,22H,12H2,1H3,(H,20,21)
InChIKeyPHBWQLZHXHBYIF-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.78
Rot. Bonds6

About 5-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiophene-2-sulfonamide

5-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 58086295) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID58086295
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC Name5-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCOc1cccc(-c2ccc(S(=O)(=O)NCc3c[nH]c4ncccc34)s2)c1
InChIInChI=1S/C19H17N3O3S2/c1-25-15-5-2-4-13(10-15)17-7-8-18(26-17)27(23,24)22-12-14-11-21-19-16(14)6-3-9-20-19/h2-11,22H,12H2,1H3,(H,20,21)
InChIKeyPHBWQLZHXHBYIF-UHFFFAOYSA-N
XLogP3.78
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenylsulfanyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 58087012
4-(3-aminophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzenesulfonamide
CID 58086906
(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81381224
2,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66414633
5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
CID 53148365
N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]-5-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 11977594
N-tert-butyl-5-[3-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 166174690
N-iodo-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophene-2-sulfonamide
CID 143540303
3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144820
N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115303409
N-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083734
2-(3-methoxyphenyl)-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]benzoic acid
CID 118078465

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiophene-2-sulfonamide (CID 58086295) is 5-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiophene-2-sulfonamide is COc1cccc(-c2ccc(S(=O)(=O)NCc3c[nH]c4ncccc34)s2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is PHBWQLZHXHBYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c1-25-15-5-2-4-13(10-15)17-7-8-18(26-17)27(23,24)22-12-14-11-21-19-16(14)6-3-9-20-19/h2-11,22H,12H2,1H3,(H,20,21).
What are the key properties of 5-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiophene-2-sulfonamide?
5-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 399.50 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 58086295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).