N-(4-amino-3-methylchromen-2-ylidene)-4-methylbenzenesulfonamide

C17H16N2O3S — CID 141462604

IUPACN-(4-amino-3-methylchromen-2-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=c2oc3ccccc3c(N)c2C)cc1
InChIInChI=1S/C17H16N2O3S/c1-11-7-9-13(10-8-11)23(20,21)19-17-12(2)16(18)14-5-3-4-6-15(14)22-17/h3-10H,18H2,1-2H3
InChIKeyIPSAXKDLGSYASP-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.92
Rot. Bonds2

About N-(4-amino-3-methylchromen-2-ylidene)-4-methylbenzenesulfonamide

N-(4-amino-3-methylchromen-2-ylidene)-4-methylbenzenesulfonamide (PubChem CID 141462604) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(4-amino-3-methylchromen-2-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-methylchromen-2-ylidene)-4-methylbenzenesulfonamide
PubChem CID141462604
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(4-amino-3-methylchromen-2-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=c2oc3ccccc3c(N)c2C)cc1
InChIInChI=1S/C17H16N2O3S/c1-11-7-9-13(10-8-11)23(20,21)19-17-12(2)16(18)14-5-3-4-6-15(14)22-17/h3-10H,18H2,1-2H3
InChIKeyIPSAXKDLGSYASP-UHFFFAOYSA-N
XLogP2.92
TPSA85.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-N-9H-xanthen-9-yl-benzenesulfonamide
CID 233085
4-[[(2-Prop-2-ynoxyphenyl)methylideneamino]methyl]benzenesulfonamide
CID 155564028
N-(2-methoxybenzyl)-4-methylbenzenesulfonamide
CID 795253
N'-(4-ethoxybenzenesulfonyl)benzenecarboximidamide
CID 9587607
4-ethoxy-N-(2-methoxybenzyl)benzenesulfonamide
CID 900673
4-{[(2-ethoxybenzyl)(ethyl)amino]methyl}-N-methylbenzenesulfonamide
CID 46989515
N-(3,4-dihydro-2H-chromen-4-yl)-N,4-dimethylbenzenesulfonamide
CID 110751217
N-(4-fluorobenzyl)-2-imino-2h-chromene-3-sulfonamide
CID 129707343
N-benzyl-N-(2H-chromen-4-yl)-4-methylbenzenesulfonamide
CID 177639750
N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-methylbenzenesulfonamide
CID 122675040
N-(2,3-dihydrochromen-4-ylideneamino)-4-methylbenzenesulfonamide
CID 122675853
N'-((4-ethoxyphenyl)sulfonyl)benzimidamide
CID 2945666

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylchromen-2-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-amino-3-methylchromen-2-ylidene)-4-methylbenzenesulfonamide (CID 141462604) is N-(4-amino-3-methylchromen-2-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-amino-3-methylchromen-2-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-amino-3-methylchromen-2-ylidene)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=c2oc3ccccc3c(N)c2C)cc1.
What is the InChIKey of N-(4-amino-3-methylchromen-2-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is IPSAXKDLGSYASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-11-7-9-13(10-8-11)23(20,21)19-17-12(2)16(18)14-5-3-4-6-15(14)22-17/h3-10H,18H2,1-2H3.
What are the key properties of N-(4-amino-3-methylchromen-2-ylidene)-4-methylbenzenesulfonamide?
N-(4-amino-3-methylchromen-2-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylchromen-2-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 141462604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).