5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide

C11H14N4O2S — CID 114141286

IUPAC5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1c[nH]c(CN)c1
InChIInChI=1S/C11H14N4O2S/c1-8-2-3-13-7-11(8)15-18(16,17)10-4-9(5-12)14-6-10/h2-4,6-7,14-15H,5,12H2,1H3
InChIKeyCXDQSWJDJFTSKC-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.98
Rot. Bonds4

About 5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide (PubChem CID 114141286) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide
PubChem CID114141286
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1c[nH]c(CN)c1
InChIInChI=1S/C11H14N4O2S/c1-8-2-3-13-7-11(8)15-18(16,17)10-4-9(5-12)14-6-10/h2-4,6-7,14-15H,5,12H2,1H3
InChIKeyCXDQSWJDJFTSKC-UHFFFAOYSA-N
XLogP0.98
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106919393
3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063140
4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63327769
3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329939
3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201115
4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide
CID 106063173
3-amino-4-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201502
4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 115330084
5-(aminomethyl)-2-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063130
N-(3-fluoro-4-pyridinyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 106090095
6-amino-5-chloro-N-(4-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 64601518
N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422143

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide (CID 114141286) is 5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide is Cc1ccncc1NS(=O)(=O)c1c[nH]c(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is CXDQSWJDJFTSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-8-2-3-13-7-11(8)15-18(16,17)10-4-9(5-12)14-6-10/h2-4,6-7,14-15H,5,12H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 266.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 114141286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).