[4-(1H-pyrrol-2-ylmethylamino)phenyl]methanesulfonamide

C12H15N3O2S — CID 62338707

IUPAC[4-(1H-pyrrol-2-ylmethylamino)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NCc2ccc[nH]2)cc1
InChIInChI=1S/C12H15N3O2S/c13-18(16,17)9-10-3-5-11(6-4-10)15-8-12-2-1-7-14-12/h1-7,14-15H,8-9H2,(H2,13,16,17)
InChIKeyRJWJXPHXUAZJQP-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.42
Rot. Bonds5

About [4-(1H-pyrrol-2-ylmethylamino)phenyl]methanesulfonamide

[4-(1H-pyrrol-2-ylmethylamino)phenyl]methanesulfonamide (PubChem CID 62338707) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is [4-(1H-pyrrol-2-ylmethylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-(1H-pyrrol-2-ylmethylamino)phenyl]methanesulfonamide
PubChem CID62338707
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name[4-(1H-pyrrol-2-ylmethylamino)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NCc2ccc[nH]2)cc1
InChIInChI=1S/C12H15N3O2S/c13-18(16,17)9-10-3-5-11(6-4-10)15-8-12-2-1-7-14-12/h1-7,14-15H,8-9H2,(H2,13,16,17)
InChIKeyRJWJXPHXUAZJQP-UHFFFAOYSA-N
XLogP1.42
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide
CID 43745169
4-iodo-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62329060
[4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide
CID 62391957
[4-(ethylamino)phenyl]methanesulfonamide
CID 43745283
4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62327186
[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745275
[4-[(5-bromothiophen-3-yl)methylamino]phenyl]methanesulfonamide
CID 43745273
[4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 43745244
[4-(cyclopropylmethylamino)phenyl]methanesulfonamide
CID 43745277
N-(1H-pyrrol-2-ylmethyl)-4-(trifluoromethylsulfanyl)aniline
CID 62328046
4-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62329566
[4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide
CID 103347632

Frequently Asked Questions

What is the IUPAC name of [4-(1H-pyrrol-2-ylmethylamino)phenyl]methanesulfonamide?
The IUPAC name of [4-(1H-pyrrol-2-ylmethylamino)phenyl]methanesulfonamide (CID 62338707) is [4-(1H-pyrrol-2-ylmethylamino)phenyl]methanesulfonamide.
What is the SMILES notation for [4-(1H-pyrrol-2-ylmethylamino)phenyl]methanesulfonamide?
The canonical SMILES for [4-(1H-pyrrol-2-ylmethylamino)phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(NCc2ccc[nH]2)cc1.
What is the InChIKey of [4-(1H-pyrrol-2-ylmethylamino)phenyl]methanesulfonamide?
The InChIKey is RJWJXPHXUAZJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-18(16,17)9-10-3-5-11(6-4-10)15-8-12-2-1-7-14-12/h1-7,14-15H,8-9H2,(H2,13,16,17).
What are the key properties of [4-(1H-pyrrol-2-ylmethylamino)phenyl]methanesulfonamide?
[4-(1H-pyrrol-2-ylmethylamino)phenyl]methanesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-pyrrol-2-ylmethylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 62338707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).