1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole

C12H16N4O2S — CID 62133510

IUPAC1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole
SMILESCn1cccc1CNc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C12H16N4O2S/c1-16-7-3-6-12(16)9-14-10-4-2-5-11(8-10)15-19(13,17)18/h2-8,14-15H,9H2,1H3,(H2,13,17,18)
InChIKeyNUABBYKHRRJFAN-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.25
Rot. Bonds5

About 1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole

1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole (PubChem CID 62133510) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole.

Molecular Properties

Compound Name1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole
PubChem CID62133510
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole
SMILESCn1cccc1CNc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C12H16N4O2S/c1-16-7-3-6-12(16)9-14-10-4-2-5-11(8-10)15-19(13,17)18/h2-8,14-15H,9H2,1H3,(H2,13,17,18)
InChIKeyNUABBYKHRRJFAN-UHFFFAOYSA-N
XLogP1.25
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28876782
methyl N-[3-[(1-methylpyrrol-2-yl)methylamino]phenyl]carbamate
CID 55039229
1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene
CID 61323721
N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide
CID 55039467
N-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 62129273
1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole
CID 103571457
1-(pentylamino)-3-(sulfamoylamino)benzene
CID 43741926
1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine
CID 62657531
N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide
CID 62129281
N-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide
CID 62131328
5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole
CID 43742059
2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
CID 54868489

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole?
The IUPAC name of 1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole (CID 62133510) is 1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole.
What is the SMILES notation for 1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole?
The canonical SMILES for 1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole is Cn1cccc1CNc1cccc(NS(N)(=O)=O)c1.
What is the InChIKey of 1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole?
The InChIKey is NUABBYKHRRJFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-16-7-3-6-12(16)9-14-10-4-2-5-11(8-10)15-19(13,17)18/h2-8,14-15H,9H2,1H3,(H2,13,17,18).
What are the key properties of 1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole?
1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole has a molecular weight of 280.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole is sourced from PubChem (CID 62133510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).