N-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide

C17H18N2O3S — CID 112521990

IUPACN-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide
SMILESNCc1ccc(S(=O)(=O)NC(=O)C2Cc3ccccc3C2)cc1
InChIInChI=1S/C17H18N2O3S/c18-11-12-5-7-16(8-6-12)23(21,22)19-17(20)15-9-13-3-1-2-4-14(13)10-15/h1-8,15H,9-11,18H2,(H,19,20)
InChIKeyPVOZYMBBPPZVOQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.37
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide

N-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 112521990) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID112521990
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide
SMILESNCc1ccc(S(=O)(=O)NC(=O)C2Cc3ccccc3C2)cc1
InChIInChI=1S/C17H18N2O3S/c18-11-12-5-7-16(8-6-12)23(21,22)19-17(20)15-9-13-3-1-2-4-14(13)10-15/h1-8,15H,9-11,18H2,(H,19,20)
InChIKeyPVOZYMBBPPZVOQ-UHFFFAOYSA-N
XLogP1.37
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106892179
4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
CID 75277368
N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155137344
N-[4-(aminomethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide
CID 110838915
1-[4-(aminomethyl)phenyl]sulfonyl-3-[[[4-(aminomethyl)phenyl]sulfonylcarbamoylamino]-diphenylmethyl]urea
CID 174713891
3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide
CID 103308923
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 56796436
4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
CID 22051273
2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
CID 103308898
N-(4-amino-3-methylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894375
3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide
CID 110839421

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide (CID 112521990) is N-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide is NCc1ccc(S(=O)(=O)NC(=O)C2Cc3ccccc3C2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is PVOZYMBBPPZVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c18-11-12-5-7-16(8-6-12)23(21,22)19-17(20)15-9-13-3-1-2-4-14(13)10-15/h1-8,15H,9-11,18H2,(H,19,20).
What are the key properties of N-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide?
N-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 112521990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).