1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide

C16H15N3O4S2 — CID 17247589

IUPAC1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1ccn(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H15N3O4S2/c20-24(21,18-12-14-5-4-9-17-11-14)16-8-10-19(13-16)25(22,23)15-6-2-1-3-7-15/h1-11,13,18H,12H2
InChIKeyMRTZGUBUFUTQAC-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.60
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide

1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide (PubChem CID 17247589) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide
PubChem CID17247589
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC Name1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1ccn(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H15N3O4S2/c20-24(21,18-12-14-5-4-9-17-11-14)16-8-10-19(13-16)25(22,23)15-6-2-1-3-7-15/h1-11,13,18H,12H2
InChIKeyMRTZGUBUFUTQAC-UHFFFAOYSA-N
XLogP1.60
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-N-prop-2-enylpyrrole-3-sulfonamide
CID 17247577
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
4-(2-chloroethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 28719352
4-(2-bromoethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 23112086
N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3691784
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
5-(aminomethyl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide
CID 106030834
3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
CID 42283279
N-ethyl-N-phenyl-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109064866
N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
CID 84549972
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide
CID 43605828
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 109064852

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide (CID 17247589) is 1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide is O=S(=O)(NCc1cccnc1)c1ccn(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide?
The InChIKey is MRTZGUBUFUTQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c20-24(21,18-12-14-5-4-9-17-11-14)16-8-10-19(13-16)25(22,23)15-6-2-1-3-7-15/h1-11,13,18H,12H2.
What are the key properties of 1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide?
1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide has a molecular weight of 377.45 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 17247589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).