N-cyclopropyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide

C23H27NO5S — CID 56925993

IUPACN-cyclopropyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)C2CC2)cc1OC
InChIInChI=1S/C23H27NO5S/c1-23(2)12-11-17-13-16(5-9-20(17)29-23)15-24(18-6-7-18)30(25,26)19-8-10-21(27-3)22(14-19)28-4/h5,8-14,18H,6-7,15H2,1-4H3
InChIKeyDSOYKEUJHSWAMT-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.24
Rot. Bonds7

About N-cyclopropyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide

N-cyclopropyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 56925993) has the molecular formula C23H27NO5S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID56925993
Molecular FormulaC23H27NO5S
Molecular Weight429.54 g/mol
Exact Mass429.16
IUPAC NameN-cyclopropyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)C2CC2)cc1OC
InChIInChI=1S/C23H27NO5S/c1-23(2)12-11-17-13-16(5-9-20(17)29-23)15-24(18-6-7-18)30(25,26)19-8-10-21(27-3)22(14-19)28-4/h5,8-14,18H,6-7,15H2,1-4H3
InChIKeyDSOYKEUJHSWAMT-UHFFFAOYSA-N
XLogP4.24
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide (CID 56925993) is N-cyclopropyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)C2CC2)cc1OC.
What is the InChIKey of N-cyclopropyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is DSOYKEUJHSWAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5S/c1-23(2)12-11-17-13-16(5-9-20(17)29-23)15-24(18-6-7-18)30(25,26)19-8-10-21(27-3)22(14-19)28-4/h5,8-14,18H,6-7,15H2,1-4H3.
What are the key properties of N-cyclopropyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
N-cyclopropyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 429.54 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 56925993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).