N-[6-(5-chlorothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

C19H16ClNO4S2 — CID 10202414

IUPACN-[6-(5-chlorothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccc(Cl)s1)O2
InChIInChI=1S/C19H16ClNO4S2/c1-24-14-4-3-5-15-18(14)12-7-6-11(21-27(2,22)23)10-13(12)19(25-15)16-8-9-17(20)26-16/h3-10,19,21H,1-2H3
InChIKeyXRFVXNDDKUKKAH-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.93
Rot. Bonds4

About N-[6-(5-chlorothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

N-[6-(5-chlorothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 10202414) has the molecular formula C19H16ClNO4S2 and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[6-(5-chlorothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(5-chlorothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID10202414
Molecular FormulaC19H16ClNO4S2
Molecular Weight421.93 g/mol
Exact Mass421.02
IUPAC NameN-[6-(5-chlorothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccc(Cl)s1)O2
InChIInChI=1S/C19H16ClNO4S2/c1-24-14-4-3-5-15-18(14)12-7-6-11(21-27(2,22)23)10-13(12)19(25-15)16-8-9-17(20)26-16/h3-10,19,21H,1-2H3
InChIKeyXRFVXNDDKUKKAH-UHFFFAOYSA-N
XLogP4.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxy-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl)methanesulfonamide
CID 10177943
N-[1-methoxy-6-[3-[methyl(methylsulfonyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10141103
N-[6-(3-cyanophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10158247
3-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]-1,1-bis(methylsulfonyl)urea
CID 70026077
N-[1-methoxy-6-[3-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10138813
N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide
CID 10297219
N-[1-methoxy-6-[(E)-2-phenylethenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10223102
N-[6-[3-(3-cyanopropyl)phenyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10182279
N-[6-[3-(4-cyanobutyl)phenyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10276481
ethyl (E)-4-[3-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]phenoxy]but-2-enoate
CID 70166966
N-[6-(5-bromothiophen-2-yl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10229770
N-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10275194

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-chlorothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of N-[6-(5-chlorothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 10202414) is N-[6-(5-chlorothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(5-chlorothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for N-[6-(5-chlorothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccc(Cl)s1)O2.
What is the InChIKey of N-[6-(5-chlorothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is XRFVXNDDKUKKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S2/c1-24-14-4-3-5-15-18(14)12-7-6-11(21-27(2,22)23)10-13(12)19(25-15)16-8-9-17(20)26-16/h3-10,19,21H,1-2H3.
What are the key properties of N-[6-(5-chlorothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
N-[6-(5-chlorothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 421.93 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-chlorothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 10202414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).